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4-(2-{3,3'-dinitro-4'-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazin-1-yl]-[1,1'-biphenyl]-4-yl}hydrazin-1-ylidene)cyclohexa-2,5-dien-1-one

4-(2-{3,3'-dinitro-4'-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazin-1-yl]-[1,1'-biphenyl]-4-yl}hydrazin-1-ylidene)cyclohexa-2,5-dien-1-one

CAS: 3687-26-1

Formula: C24H16N6O6

SMILES: [O-][N+](=O)C1=C(NN=C2C=CC(=O)C=C2)C=CC(=C1)C1=CC(=C(NN=C2C=CC(=O)C=C2)C=C1)[N+]([O-])=O

IUPAC: 4-(2-{3,3'-dinitro-4'-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazin-1-yl]-[1,1'-biphenyl]-4-yl}hydrazin-1-ylidene)cyclohexa-2,5-dien-1-one

InChI: InChI=1S/C24H16N6O6/c31-19-7-3-17(4-8-19)25-27-21-11-1-15(13-23(21)29(33)34)16-2-12-22(24(14-16)30(35)36)28-26-18-5-9-20(32)10-6-18/h1-14,27-28H

Composition: C (59.51%), H (3.33%), N (17.35%), O (19.82%)

Molar Mass: 484.428

Atom Count: 52

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 484.113132259
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 2
InChIKey PCHMGEUYLQEZSJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 137.25
Topological Polar Surface Area 169.2
Polarizability 48.57
Ring Count 4
Rotatable Bond Count 7

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