(5-benzoyl-2,6-diphenyl-3-pyridinyl)-phenylmethanone

C31H21NO2 — CID 3092071

IUPAC(5-benzoyl-2,6-diphenyl-3-pyridinyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(C(=O)c2ccccc2)c(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C31H21NO2/c33-30(24-17-9-3-10-18-24)26-21-27(31(34)25-19-11-4-12-20-25)29(23-15-7-2-8-16-23)32-28(26)22-13-5-1-6-14-22/h1-21H
InChIKeyLEVXACYCGIKDER-UHFFFAOYSA-N
MW439.51 g/mol
LogP6.88
Rot. Bonds6

About (5-benzoyl-2,6-diphenyl-3-pyridinyl)-phenylmethanone

(5-benzoyl-2,6-diphenyl-3-pyridinyl)-phenylmethanone (PubChem CID 3092071) has the molecular formula C31H21NO2 and a molecular weight of 439.51 g/mol. Its IUPAC name is (5-benzoyl-2,6-diphenyl-3-pyridinyl)-phenylmethanone.

Molecular Properties

Compound Name(5-benzoyl-2,6-diphenyl-3-pyridinyl)-phenylmethanone
PubChem CID3092071
Molecular FormulaC31H21NO2
Molecular Weight439.51 g/mol
Exact Mass439.16
IUPAC Name(5-benzoyl-2,6-diphenyl-3-pyridinyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(C(=O)c2ccccc2)c(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C31H21NO2/c33-30(24-17-9-3-10-18-24)26-21-27(31(34)25-19-11-4-12-20-25)29(23-15-7-2-8-16-23)32-28(26)22-13-5-1-6-14-22/h1-21H
InChIKeyLEVXACYCGIKDER-UHFFFAOYSA-N
XLogP6.88
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.51
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-benzoyl-2,6-diphenyl-3-pyridinyl)-phenylmethanone?
The IUPAC name of (5-benzoyl-2,6-diphenyl-3-pyridinyl)-phenylmethanone (CID 3092071) is (5-benzoyl-2,6-diphenyl-3-pyridinyl)-phenylmethanone.
What is the SMILES notation for (5-benzoyl-2,6-diphenyl-3-pyridinyl)-phenylmethanone?
The canonical SMILES for (5-benzoyl-2,6-diphenyl-3-pyridinyl)-phenylmethanone is O=C(c1ccccc1)c1cc(C(=O)c2ccccc2)c(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (5-benzoyl-2,6-diphenyl-3-pyridinyl)-phenylmethanone?
The InChIKey is LEVXACYCGIKDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21NO2/c33-30(24-17-9-3-10-18-24)26-21-27(31(34)25-19-11-4-12-20-25)29(23-15-7-2-8-16-23)32-28(26)22-13-5-1-6-14-22/h1-21H.
What are the key properties of (5-benzoyl-2,6-diphenyl-3-pyridinyl)-phenylmethanone?
(5-benzoyl-2,6-diphenyl-3-pyridinyl)-phenylmethanone has a molecular weight of 439.51 g/mol, XLogP of 6.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzoyl-2,6-diphenyl-3-pyridinyl)-phenylmethanone is sourced from PubChem (CID 3092071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).