2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione

C32H20N2O2 — CID 171393922

IUPAC2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione
SMILESO=C1c2ccccc2C(=O)c2c1[nH]c(-c1ccccc1)c2-c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C32H20N2O2/c35-31-21-15-7-8-16-22(21)32(36)30-27(31)26(29(34-30)20-13-5-2-6-14-20)25-23-17-9-10-18-24(23)33-28(25)19-11-3-1-4-12-19/h1-18,33-34H
InChIKeyCQBUXXSZFYOZPY-UHFFFAOYSA-N
MW464.52 g/mol
LogP7.27
Rot. Bonds3

About 2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione

2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione (PubChem CID 171393922) has the molecular formula C32H20N2O2 and a molecular weight of 464.52 g/mol. Its IUPAC name is 2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione.

Molecular Properties

Compound Name2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione
PubChem CID171393922
Molecular FormulaC32H20N2O2
Molecular Weight464.52 g/mol
Exact Mass464.15
IUPAC Name2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione
SMILESO=C1c2ccccc2C(=O)c2c1[nH]c(-c1ccccc1)c2-c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C32H20N2O2/c35-31-21-15-7-8-16-22(21)32(36)30-27(31)26(29(34-30)20-13-5-2-6-14-20)25-23-17-9-10-18-24(23)33-28(25)19-11-3-1-4-12-19/h1-18,33-34H
InChIKeyCQBUXXSZFYOZPY-UHFFFAOYSA-N
XLogP7.27
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.52
LogP ≤ 57.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

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CID 11207363
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CID 59508067
2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one
CID 19067574
3-(4-tert-butylphenyl)-2-phenyl-1H-indole
CID 12065981
2,3-difluoro-5H-benzo[b]carbazole-6,11-dione
CID 149338155
5,6-dihydrobenzo[b]carbazol-11-one
CID 123961016
4-[2-(4-phenylphenyl)-1H-indol-3-yl]phenol
CID 132917859
3-bromo-1-methyl-4-(2-phenyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 11596060
2,3-dimethyl-11H-benzo[a]carbazole-5,6-dione
CID 11807923
7-methoxy-5H-indeno[2,1-b]indol-6-one
CID 10444743
1H-benzo[g]quinazoline-2,4,5,10-tetrone
CID 69220020

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione?
The IUPAC name of 2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione (CID 171393922) is 2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione.
What is the SMILES notation for 2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione?
The canonical SMILES for 2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione is O=C1c2ccccc2C(=O)c2c1[nH]c(-c1ccccc1)c2-c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione?
The InChIKey is CQBUXXSZFYOZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2O2/c35-31-21-15-7-8-16-22(21)32(36)30-27(31)26(29(34-30)20-13-5-2-6-14-20)25-23-17-9-10-18-24(23)33-28(25)19-11-3-1-4-12-19/h1-18,33-34H.
What are the key properties of 2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione?
2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione has a molecular weight of 464.52 g/mol, XLogP of 7.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(2-phenyl-1H-indol-3-yl)-1H-benzo[f]indole-4,9-dione is sourced from PubChem (CID 171393922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).