Indanthrone

2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4(13),6,8,10,14,19(28),21,23,25,29-dodecaene-5,12,20,27-tetrone

CAS: 81-77-6

Molecular Formula	`C28H14N2O4`
Molecular Weight	442.4 g/mol
LogP	4.9
Topological Polar Surface Area	92.3 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	0
Exact Mass	442.09537
Heavy Atoms	34
Complexity	857.0

Chemical Identifiers

CAS Number	81-77-6
SMILES	`C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC5=C(N4)C=CC6=C5C(=O)C7=CC=CC=C7C6=O`
InChIKey	`UHOKSCJSTAHBSO-UHFFFAOYSA-N`

📖 Product Overview

Indanthrone (CAS: 81-77-6) is a chemical compound with molecular formula C28H14N2O4 and molecular weight 442.4 g/mol. Its IUPAC systematic name is 2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4(13),6,8,10,14,19(28),21,23,25,29-dodecaene-5,12,20,27-tetrone. LogP 4.9 Topological Polar Surface Area 92.3 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 0 Exact Mass 442.09537 Heavy Atoms 34 Complexity 857.0 InChI Key: UHOKSCJSTAHBSO-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC5=C(N4)C=CC6=C5C(=O)C7=CC=CC=C7C6=O.

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