HEXAHYDRO-N,N',1-TRIS(PHENYLMETHYL)-2,6,3,5-ETHANEDIYLIDENEPENTALENO(1,6-BC)PYRROLE-2,6A(1H,2AH)-DIAMINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H33N3
Molecular Weight	459.6245
Optical Activity	NONE
Defined Stereocenters	0 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of HEXAHYDRO-N,N',1-TRIS(PHENYLMETHYL)-2,6,3,5-ETHANEDIYLIDENEPENTALENO(1,6-BC)PYRROLE-2,6A(1H,2AH)-DIAMINE

Structure Search

SMILES

C(NC12C3C4C5C3C(NCC6=CC=CC=C6)(C7C5CC4C17)N2CC8=CC=CC=C8)C9=CC=CC=C9

InChI

InChIKey=XJBLVGYTMDTSJO-UHFFFAOYSA-N

InChI=1S/C32H33N3/c1-4-10-20(11-5-1)17-33-31-27-23-16-24-26-25(23)29(31)30(26)32(28(24)27,34-18-21-12-6-2-7-13-21)35(31)19-22-14-8-3-9-15-22/h1-15,23-30,33-34H,16-19H2

HIDE SMILES / InChI

Molecular Formula	C32H33N3
Molecular Weight	459.6245
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:30:30 GMT 2025` Edited by `admin` on `Tue Apr 01 19:30:30 GMT 2025`
Record UNII	KB7ESM2HFS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-677236

Preferred Name

English

HEXAHYDRO-N,N',1-TRIS(PHENYLMETHYL)-2,6,3,5-ETHANEDIYLIDENEPENTALENO(1,6-BC)PYRROLE-2,6A(1H,2AH)-DIAMINE

Systematic Name

English

2,6,3,5-ETHANEDIYLIDENEPENTALENO(1,6-BC)PYRROLE-2,6A(1H,2AH)-DIAMINE, HEXAHYDRO-N,N',1-TRIS(PHENYLMETHYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

496043

Created by admin on Tue Apr 01 19:30:30 GMT 2025 , Edited by admin on Tue Apr 01 19:30:30 GMT 2025

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NSC

677236

Created by admin on Tue Apr 01 19:30:30 GMT 2025 , Edited by admin on Tue Apr 01 19:30:30 GMT 2025

PRIMARY

FDA UNII

KB7ESM2HFS

Created by admin on Tue Apr 01 19:30:30 GMT 2025 , Edited by admin on Tue Apr 01 19:30:30 GMT 2025

PRIMARY

CAS

174078-12-7

Created by admin on Tue Apr 01 19:30:30 GMT 2025 , Edited by admin on Tue Apr 01 19:30:30 GMT 2025

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