Compound C45H24N2O5

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

CAS: 129-22-6

Molecular Formula	`C45H24N2O5`
Molecular Weight	672.7 g/mol
LogP	9.3
Topological Polar Surface Area	109.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	672.1685
Heavy Atoms	52
Complexity	1470.0

Chemical Identifiers

CAS Number	129-22-6
SMILES	`C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC4=CC5=C(C=C4)C6=C7C(=C(C=C6)NC8=CC=CC9=C8C(=O)C1=CC=CC=C1C9=O)C=CC=C7C5=O`
InChIKey	`HJWRIENCONWZPB-UHFFFAOYSA-N`

📖 Product Overview

Compound C45H24N2O5 (CAS: 129-22-6) is a chemical compound with molecular formula C45H24N2O5 and molecular weight 672.7 g/mol. Its IUPAC systematic name is 1-[[3-[(9,10-dioxoanthracen-1-yl)amino]-7-oxobenzo[a]phenalen-9-yl]amino]anthracene-9,10-dione. LogP 9.3 Topological Polar Surface Area 109.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 4 Exact Mass 672.1685 Heavy Atoms 52 Complexity 1470.0 InChI Key: HJWRIENCONWZPB-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC4=CC5=C(C=C4)C6=C7C(=C(C=C6)NC8=CC=CC9=C8C(=O)C1=CC=CC=C1C9=O)C=CC=C7C5=O.

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