U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C21H18
Molecular Weight 270.3676
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(1-Methylethyl)benzo[c]phenanthrene

SMILES

CC(C)C1=CC2=CC=C3C=CC=CC3=C2C4=CC=CC=C14

InChI

InChIKey=RESRCWGRKNPWHS-UHFFFAOYSA-N
InChI=1S/C21H18/c1-14(2)20-13-16-12-11-15-7-3-4-8-17(15)21(16)19-10-6-5-9-18(19)20/h3-14H,1-2H3

HIDE SMILES / InChI

Molecular Formula C21H18
Molecular Weight 270.3676
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:30:13 GMT 2025
Edited
by admin
on Tue Apr 01 16:30:13 GMT 2025
Record UNII
TPP34H3GXB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzo[c]phenanthrene, 5-(1-methylethyl)-
Preferred Name English
5-(1-Methylethyl)benzo[c]phenanthrene
Systematic Name English
Benzo[c]phenanthrene, 8-(1-methylethyl)-
Systematic Name English
Benzo[c]phenanthrene, 5-isopropyl-
Systematic Name English
Code System Code Type Description
CAS
63020-53-1
Created by admin on Tue Apr 01 16:30:13 GMT 2025 , Edited by admin on Tue Apr 01 16:30:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID50212292
Created by admin on Tue Apr 01 16:30:13 GMT 2025 , Edited by admin on Tue Apr 01 16:30:13 GMT 2025
PRIMARY
PUBCHEM
44315
Created by admin on Tue Apr 01 16:30:13 GMT 2025 , Edited by admin on Tue Apr 01 16:30:13 GMT 2025
PRIMARY
FDA UNII
TPP34H3GXB
Created by admin on Tue Apr 01 16:30:13 GMT 2025 , Edited by admin on Tue Apr 01 16:30:13 GMT 2025
PRIMARY