FULVENE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H6
Molecular Weight	78.1118
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C=C1C=CC=C1

InChI

InChIKey=PGTKVMVZBBZCKQ-UHFFFAOYSA-N

InChI=1S/C6H6/c1-6-4-2-3-5-6/h2-5H,1H2

HIDE SMILES / InChI

Molecular Formula	C6H6
Molecular Weight	78.1118
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Controlling the mechanism of fulvene S(1)/S(0) decay: switching off the stepwise population transfer.	2010-12-28	21082138
Substituent effects on the electron affinities and ionization energies of tria-, penta-, and heptafulvenes: a computational investigation.	2010-12-03	21067236
Aromatization of fulvene by complexation with lithium.	2010-11-05	20873865
Electronic transitions of protonated benzene and fulvene, and of C6H7 isomers in neon matrices.	2010-10-27	20919714
The importance of fuel dissociation and propargyl + allyl association for the formation of benzene in a fuel-rich 1-hexene flame.	2010-10-14	20820554
Preparation of furan and thiophene-derived fulvene dialdehydes: synthesis and structural characterization of a 22-oxa-21-carbaporphyrin and a related palladium(II) organometallic complex.	2010-10-01	20828115
Aromaticity of substituted fulvene derivatives: substituent-dependent ring currents.	2010-09-28	20617242
Intracellular DNA damage by lysine-acetylene conjugates.	2010-08-09	20814583
Pyridyldithiafulvenes as precursors of coordination-driven self-assembled redox active macrocycle.	2010-05-21	20402484
A universal scale of aromaticity for pi-organic compounds.	2010-04-15	19637212
Reaction of the C2H radical with 1-butyne (C4H6): low-temperature kinetics and isomer-specific product detection.	2010-03-11	20141190
The photochemical C2-C6 cyclization of enyne-allenes: interception of the fulvene diradical with a radical clock ring opening.	2009-08-21	19601583
Quantum dynamical simulations for nuclear spin selective laser control of ortho- and para-fulvene.	2009-07-21	19624195
Economical post-CCSD(T) computational thermochemistry protocol and applications to some aromatic compounds.	2009-07-02	19265420
Size- and solvent-dependent kinetics for cis-trans isomerization in donor-acceptor systems.	2009-06	19196546
Synthesis, reactivity and molecular structure of phosphino tetramethyl cyclopentadienyl complex (eta5: eta1-C5Me4CH2PPh2)Re(CO)2.	2009-04-28	19352533
Photoinduced quantum dynamics of ortho- and para-fulvene: hindered photoisomerization due to mode selective fast radiationless decay via a conical intersection.	2009-03-28	19334841
Photochemical C2-C6 cyclization of enyne-allenes: detection of a fulvene triplet diradical in the laser flash photolysis.	2008-11-21	18855455
Bioorganometallic fulvene-derived titanocene anti-cancer drugs.	2008-06	18497930
Novel achiral titanocene anti-cancer drugs synthesised from bis-N,N-dimethylamino fulvene and lithiated heterocyclic compounds.	2008-04	17665139
Synthesis and cytotoxicity studies of new morpholino-functionalised and N-heteroaryl-substituted titanocene anticancer drugs.	2008-03	18336326
Synthesis and cytotoxicity studies of titanocene C analogues.	2008	18274663
Iodine assisted palladium catalyzed ring opening of bicyclic hydrazines with organoboronic acids: stereoselective synthesis of functionalized cyclopentenes and alkylidene cyclopentenes.	2007-12-21	18043807
Homogeneous catalytic reduction of dioxygen using transfer hydrogenation catalysts.	2007-11-21	17958423
Fulvene dialdehyde strategy for adj-dicarbaporphyrinoid synthesis: preparation of a 22-carbaazuliporphyrin.	2007-11-14	17944474
Quantum chemical study of the thermal decomposition of o-quinone methide (6-methylene-2,4-cyclohexadien-1-one).	2007-08-16	17645323
Ab initio and DFT study of the aromaticity of some Fulvalenes derived from Methylidenecyclopropabenzene.	2007-08	17541794
The reaction of n- and i-C4H5 radicals with acetylene.	2007-05-17	17408247
Combustion modeling and kinetic rate calculations for a stoichiometric cyclohexane flame. 1. Major reaction pathways.	2007-05-17	17388269
Toward separation of nuclear spin isomers with coherent light.	2007-02-02	17183525
Scope and limitations of Baird's theory on triplet state aromaticity: application to the tuning of singlet-triplet energy gaps in fulvenes.	2007	17562534
Ring-expansion reactions in the thermal decomposition of tert-butyl-1,3-cyclopentadiene.	2006-11-30	17125296
Synthesis of chromium(0) and molybdenum(0) bis (eta(6)-arene) derivatives and their monoelectronic oxidation to [M(eta(6)-arene)(2)](+) cations.	2006-09-21	16932815
Protected 32P-labels in deoxyribonucleotides: investigation of sequence selectivity of DNA photocleavage by enediyne-, fulvene-, and acetylene-lysine conjugates.	2006-05-26	16642539
Reductive Bergman-type cyclizations of cross-conjugated enediynes to fulvene and fulvalene anions: the role of the substituent.	2006-04-12	16594707
An optimized semidetailed submechanism of benzene formation from propargyl recombination.	2006-02-16	16466252
Two-photon excitation of substituted enediynes.	2006-01-12	16392861
Syntheses, structures, and photoisomerization of (E)- and (Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene.	2005-12-29	16366613
Isomeric product distributions from the self-reaction of propargyl radicals.	2005-07-14	16833941
A systematically generated, pressure-dependent mechanism for high-conversion ethane pyrolysis. 2. Radical disproportionations, missing reaction families, and the consequences of pressure dependence.	2005-06-23	16839058
The virtue of palladium-catalyzed domino reactions - diverse oligocyclizations of acyclic 2-bromoenynes and 2-bromoenediynes.	2005-05	15895979
Organometallic silver(I) supramolecular complexes generated from multidentate furan-containing symmetric and unsymmetric fulvene ligands and silver(I) salts.	2005-03-21	15762696
Identity hydride-ion transfer from C-H donors to C acceptor sites. Enthalpies of hydride addition and enthalpies of activation. Comparison with C...H...C proton transfer. An ab initio study.	2005-02-23	15713112
Intramolecular Diels-Alder cycloadditions of fulvenes. Application to the kigelinol, neoamphilectane, and kempane skeletons.	2005-02-17	15704893
The curvature of the conical intersection seam: an approximate second-order analysis.	2004-12-15	15634121
Methoxy-phenyl substituted ansa-titanocenes as potential anti-cancer drugs derived from fulvenes and titanium dichloride.	2004-12	15541486
Syntheses and structures of Ag(I)-containing coordination polymers and Co(II)-containing supramolecular complex based on novel fulvene ligands.	2004-07-26	15257602
Calenzanane sesquiterpenes from the red seaweed Laurencia microcladia from the Bay of Calenzana, Elba Island: acid-catalyzed stereospecific conversion of calenzanol into indene- and guaiazulene-type sesquiterpenes.	2003-12-05	14673847
Reaction of 2,2-bis(trifluoromethyl)-1,1-dicyanoethylene with 6,6-dimethylfulvene: cycloadditions and a rearrangement.	2003-01-10	12515470
Novel [6 + 2] cycloaddition of fulvenes with alkenes: a facile synthesis of the anislactone and hirsutane framework.	2002-06-27	12074679

Patents

Substance Class	Chemical Created by `admin` on `Wed Apr 02 11:35:17 GMT 2025` Edited by `admin` on `Wed Apr 02 11:35:17 GMT 2025`
Record UNII	19W699IKIE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FULVENE

Systematic Name

English

5-METHYLENE-1,3-CYCLOPENTADIENE

Preferred Name

English

Code System Code Type Description

CAS

497-20-1