(3,5-diphenylphenyl)-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]methanone

C37H27NO — CID 140587112

IUPAC(3,5-diphenylphenyl)-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]methanone
SMILESCc1ccc(-c2cccc(-c3cccc(C(=O)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)nc1
InChIInChI=1S/C37H27NO/c1-26-18-19-36(38-25-26)31-16-8-14-29(20-31)30-15-9-17-32(21-30)37(39)35-23-33(27-10-4-2-5-11-27)22-34(24-35)28-12-6-3-7-13-28/h2-25H,1H3
InChIKeyCWWVSLJDVTWDFN-UHFFFAOYSA-N
MW501.63 g/mol
LogP9.29
Rot. Bonds6

About (3,5-diphenylphenyl)-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]methanone

(3,5-diphenylphenyl)-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]methanone (PubChem CID 140587112) has the molecular formula C37H27NO and a molecular weight of 501.63 g/mol. Its IUPAC name is (3,5-diphenylphenyl)-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name(3,5-diphenylphenyl)-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]methanone
PubChem CID140587112
Molecular FormulaC37H27NO
Molecular Weight501.63 g/mol
Exact Mass501.21
IUPAC Name(3,5-diphenylphenyl)-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]methanone
SMILESCc1ccc(-c2cccc(-c3cccc(C(=O)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)nc1
InChIInChI=1S/C37H27NO/c1-26-18-19-36(38-25-26)31-16-8-14-29(20-31)30-15-9-17-32(21-30)37(39)35-23-33(27-10-4-2-5-11-27)22-34(24-35)28-12-6-3-7-13-28/h2-25H,1H3
InChIKeyCWWVSLJDVTWDFN-UHFFFAOYSA-N
XLogP9.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-diphenylphenyl)-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]methanone?
The IUPAC name of (3,5-diphenylphenyl)-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]methanone (CID 140587112) is (3,5-diphenylphenyl)-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]methanone.
What is the SMILES notation for (3,5-diphenylphenyl)-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]methanone?
The canonical SMILES for (3,5-diphenylphenyl)-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]methanone is Cc1ccc(-c2cccc(-c3cccc(C(=O)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)nc1.
What is the InChIKey of (3,5-diphenylphenyl)-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]methanone?
The InChIKey is CWWVSLJDVTWDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NO/c1-26-18-19-36(38-25-26)31-16-8-14-29(20-31)30-15-9-17-32(21-30)37(39)35-23-33(27-10-4-2-5-11-27)22-34(24-35)28-12-6-3-7-13-28/h2-25H,1H3.
What are the key properties of (3,5-diphenylphenyl)-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]methanone?
(3,5-diphenylphenyl)-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]methanone has a molecular weight of 501.63 g/mol, XLogP of 9.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diphenylphenyl)-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]methanone is sourced from PubChem (CID 140587112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).