2-benzyl-3,4-diphenyl-9H-pyrido[3,4-b]indol-1-one

C30H22N2O — CID 15424155

IUPAC2-benzyl-3,4-diphenyl-9H-pyrido[3,4-b]indol-1-one
SMILESO=c1c2[nH]c3ccccc3c2c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C30H22N2O/c33-30-28-27(24-18-10-11-19-25(24)31-28)26(22-14-6-2-7-15-22)29(23-16-8-3-9-17-23)32(30)20-21-12-4-1-5-13-21/h1-19,31H,20H2
InChIKeyJHFYDPJWPUPRKT-UHFFFAOYSA-N
MW426.52 g/mol
LogP6.87
Rot. Bonds4

About 2-benzyl-3,4-diphenyl-9H-pyrido[3,4-b]indol-1-one

2-benzyl-3,4-diphenyl-9H-pyrido[3,4-b]indol-1-one (PubChem CID 15424155) has the molecular formula C30H22N2O and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-benzyl-3,4-diphenyl-9H-pyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name2-benzyl-3,4-diphenyl-9H-pyrido[3,4-b]indol-1-one
PubChem CID15424155
Molecular FormulaC30H22N2O
Molecular Weight426.52 g/mol
Exact Mass426.17
IUPAC Name2-benzyl-3,4-diphenyl-9H-pyrido[3,4-b]indol-1-one
SMILESO=c1c2[nH]c3ccccc3c2c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C30H22N2O/c33-30-28-27(24-18-10-11-19-25(24)31-28)26(22-14-6-2-7-15-22)29(23-16-8-3-9-17-23)32(30)20-21-12-4-1-5-13-21/h1-19,31H,20H2
InChIKeyJHFYDPJWPUPRKT-UHFFFAOYSA-N
XLogP6.87
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,4-diphenyl-9H-pyrido[3,4-b]indol-1-one?
The IUPAC name of 2-benzyl-3,4-diphenyl-9H-pyrido[3,4-b]indol-1-one (CID 15424155) is 2-benzyl-3,4-diphenyl-9H-pyrido[3,4-b]indol-1-one.
What is the SMILES notation for 2-benzyl-3,4-diphenyl-9H-pyrido[3,4-b]indol-1-one?
The canonical SMILES for 2-benzyl-3,4-diphenyl-9H-pyrido[3,4-b]indol-1-one is O=c1c2[nH]c3ccccc3c2c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3,4-diphenyl-9H-pyrido[3,4-b]indol-1-one?
The InChIKey is JHFYDPJWPUPRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O/c33-30-28-27(24-18-10-11-19-25(24)31-28)26(22-14-6-2-7-15-22)29(23-16-8-3-9-17-23)32(30)20-21-12-4-1-5-13-21/h1-19,31H,20H2.
What are the key properties of 2-benzyl-3,4-diphenyl-9H-pyrido[3,4-b]indol-1-one?
2-benzyl-3,4-diphenyl-9H-pyrido[3,4-b]indol-1-one has a molecular weight of 426.52 g/mol, XLogP of 6.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,4-diphenyl-9H-pyrido[3,4-b]indol-1-one is sourced from PubChem (CID 15424155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).