3-benzoyl-1-(4-fluorophenyl)-2-phenylbenzo[f]indole-4,9-dione

C31H18FNO3 — CID 72702433

IUPAC3-benzoyl-1-(4-fluorophenyl)-2-phenylbenzo[f]indole-4,9-dione
SMILESO=C1c2ccccc2C(=O)c2c1c(C(=O)c1ccccc1)c(-c1ccccc1)n2-c1ccc(F)cc1
InChIInChI=1S/C31H18FNO3/c32-21-15-17-22(18-16-21)33-27(19-9-3-1-4-10-19)25(29(34)20-11-5-2-6-12-20)26-28(33)31(36)24-14-8-7-13-23(24)30(26)35/h1-18H
InChIKeyBAOUSLYZJXIYNN-UHFFFAOYSA-N
MW471.49 g/mol
LogP6.29
Rot. Bonds4

About 3-benzoyl-1-(4-fluorophenyl)-2-phenylbenzo[f]indole-4,9-dione

3-benzoyl-1-(4-fluorophenyl)-2-phenylbenzo[f]indole-4,9-dione (PubChem CID 72702433) has the molecular formula C31H18FNO3 and a molecular weight of 471.49 g/mol. Its IUPAC name is 3-benzoyl-1-(4-fluorophenyl)-2-phenylbenzo[f]indole-4,9-dione.

Molecular Properties

Compound Name3-benzoyl-1-(4-fluorophenyl)-2-phenylbenzo[f]indole-4,9-dione
PubChem CID72702433
Molecular FormulaC31H18FNO3
Molecular Weight471.49 g/mol
Exact Mass471.13
IUPAC Name3-benzoyl-1-(4-fluorophenyl)-2-phenylbenzo[f]indole-4,9-dione
SMILESO=C1c2ccccc2C(=O)c2c1c(C(=O)c1ccccc1)c(-c1ccccc1)n2-c1ccc(F)cc1
InChIInChI=1S/C31H18FNO3/c32-21-15-17-22(18-16-21)33-27(19-9-3-1-4-10-19)25(29(34)20-11-5-2-6-12-20)26-28(33)31(36)24-14-8-7-13-23(24)30(26)35/h1-18H
InChIKeyBAOUSLYZJXIYNN-UHFFFAOYSA-N
XLogP6.29
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.49
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-benzoyl-4-hydroxy-1,3,6-triphenylpyridin-2-one
CID 54695653
3-benzoyl-1,2-dimethylbenzo[f]indole-4,9-dione
CID 10711417
6-(4-fluorophenyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 138585218
(4-fluorophenyl)-phenylmethanone
CID 161464622
3-acetyl-1-(4-bromophenyl)-2-methylbenzo[f]indole-4,9-dione
CID 72702296
2-methyl-3-(3-methylbutanoyl)-1-phenylbenzo[f]indole-4,9-dione
CID 71416396
3-benzoyl-1-(4-methoxyphenyl)-2-phenylquinolin-4-one
CID 166439002
6-fluoro-2,3-diphenylindeno[2,1-b]pyrrol-4-one
CID 132542586
1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid
CID 77231600
2-benzoyl-9-oxofluorene-1-carboxylic acid
CID 165349284
4-benzoyl-2,5-diphenyl-1H-pyrazol-3-one
CID 12053553
1-[4-[3-benzoyl-2-(2-fluorophenyl)-4,5-dihydroxypyrrol-1-yl]phenyl]ethanone
CID 91312709

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-(4-fluorophenyl)-2-phenylbenzo[f]indole-4,9-dione?
The IUPAC name of 3-benzoyl-1-(4-fluorophenyl)-2-phenylbenzo[f]indole-4,9-dione (CID 72702433) is 3-benzoyl-1-(4-fluorophenyl)-2-phenylbenzo[f]indole-4,9-dione.
What is the SMILES notation for 3-benzoyl-1-(4-fluorophenyl)-2-phenylbenzo[f]indole-4,9-dione?
The canonical SMILES for 3-benzoyl-1-(4-fluorophenyl)-2-phenylbenzo[f]indole-4,9-dione is O=C1c2ccccc2C(=O)c2c1c(C(=O)c1ccccc1)c(-c1ccccc1)n2-c1ccc(F)cc1.
What is the InChIKey of 3-benzoyl-1-(4-fluorophenyl)-2-phenylbenzo[f]indole-4,9-dione?
The InChIKey is BAOUSLYZJXIYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18FNO3/c32-21-15-17-22(18-16-21)33-27(19-9-3-1-4-10-19)25(29(34)20-11-5-2-6-12-20)26-28(33)31(36)24-14-8-7-13-23(24)30(26)35/h1-18H.
What are the key properties of 3-benzoyl-1-(4-fluorophenyl)-2-phenylbenzo[f]indole-4,9-dione?
3-benzoyl-1-(4-fluorophenyl)-2-phenylbenzo[f]indole-4,9-dione has a molecular weight of 471.49 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-(4-fluorophenyl)-2-phenylbenzo[f]indole-4,9-dione is sourced from PubChem (CID 72702433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).