9,10-Anthracenedione, 1-[(7-oxo-7H-benz[de]anthracen-3-yl)amino]-

1-[(7-oxobenzo[a]phenalen-3-yl)amino]anthracene-9,10-dione

CAS: 81-94-7

Molecular Formula	`C31H17NO3`
Molecular Weight	451.5 g/mol
LogP	6.8
Topological Polar Surface Area	63.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	451.12085
Heavy Atoms	35
Complexity	882.0

Chemical Identifiers

CAS Number	81-94-7
SMILES	`C1=CC=C2C(=C1)C3=C4C(=C(C=C3)NC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O)C=CC=C4C2=O`
InChIKey	`IYIHHRQMVJYLAX-UHFFFAOYSA-N`

📖 Product Overview

9,10-Anthracenedione, 1-[(7-oxo-7H-benz[de]anthracen-3-yl)amino]- (CAS: 81-94-7) is a chemical compound with molecular formula C31H17NO3 and molecular weight 451.5 g/mol. Its IUPAC systematic name is 1-[(7-oxobenzo[a]phenalen-3-yl)amino]anthracene-9,10-dione. LogP 6.8 Topological Polar Surface Area 63.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 451.12085 Heavy Atoms 35 Complexity 882.0 InChI Key: IYIHHRQMVJYLAX-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C3=C4C(=C(C=C3)NC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O)C=CC=C4C2=O.

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