6-[3-benzoyl-2-(2,4,6-trimethylphenyl)phenyl]-2-phenylpyridine-3-carbonitrile

C34H26N2O — CID 175217932

IUPAC6-[3-benzoyl-2-(2,4,6-trimethylphenyl)phenyl]-2-phenylpyridine-3-carbonitrile
SMILESCc1cc(C)c(-c2c(C(=O)c3ccccc3)cccc2-c2ccc(C#N)c(-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C34H26N2O/c1-22-19-23(2)31(24(3)20-22)32-28(15-10-16-29(32)34(37)26-13-8-5-9-14-26)30-18-17-27(21-35)33(36-30)25-11-6-4-7-12-25/h4-20H,1-3H3
InChIKeyKXDDHAVVVYWZCJ-UHFFFAOYSA-N
MW478.60 g/mol
LogP8.11
Rot. Bonds5

About 6-[3-benzoyl-2-(2,4,6-trimethylphenyl)phenyl]-2-phenylpyridine-3-carbonitrile

6-[3-benzoyl-2-(2,4,6-trimethylphenyl)phenyl]-2-phenylpyridine-3-carbonitrile (PubChem CID 175217932) has the molecular formula C34H26N2O and a molecular weight of 478.60 g/mol. Its IUPAC name is 6-[3-benzoyl-2-(2,4,6-trimethylphenyl)phenyl]-2-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-benzoyl-2-(2,4,6-trimethylphenyl)phenyl]-2-phenylpyridine-3-carbonitrile
PubChem CID175217932
Molecular FormulaC34H26N2O
Molecular Weight478.60 g/mol
Exact Mass478.20
IUPAC Name6-[3-benzoyl-2-(2,4,6-trimethylphenyl)phenyl]-2-phenylpyridine-3-carbonitrile
SMILESCc1cc(C)c(-c2c(C(=O)c3ccccc3)cccc2-c2ccc(C#N)c(-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C34H26N2O/c1-22-19-23(2)31(24(3)20-22)32-28(15-10-16-29(32)34(37)26-13-8-5-9-14-26)30-18-17-27(21-35)33(36-30)25-11-6-4-7-12-25/h4-20H,1-3H3
InChIKeyKXDDHAVVVYWZCJ-UHFFFAOYSA-N
XLogP8.11
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-benzoyl-2-(2,4,6-trimethylphenyl)phenyl]-2-phenylpyridine-3-carbonitrile?
The IUPAC name of 6-[3-benzoyl-2-(2,4,6-trimethylphenyl)phenyl]-2-phenylpyridine-3-carbonitrile (CID 175217932) is 6-[3-benzoyl-2-(2,4,6-trimethylphenyl)phenyl]-2-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-benzoyl-2-(2,4,6-trimethylphenyl)phenyl]-2-phenylpyridine-3-carbonitrile?
The canonical SMILES for 6-[3-benzoyl-2-(2,4,6-trimethylphenyl)phenyl]-2-phenylpyridine-3-carbonitrile is Cc1cc(C)c(-c2c(C(=O)c3ccccc3)cccc2-c2ccc(C#N)c(-c3ccccc3)n2)c(C)c1.
What is the InChIKey of 6-[3-benzoyl-2-(2,4,6-trimethylphenyl)phenyl]-2-phenylpyridine-3-carbonitrile?
The InChIKey is KXDDHAVVVYWZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2O/c1-22-19-23(2)31(24(3)20-22)32-28(15-10-16-29(32)34(37)26-13-8-5-9-14-26)30-18-17-27(21-35)33(36-30)25-11-6-4-7-12-25/h4-20H,1-3H3.
What are the key properties of 6-[3-benzoyl-2-(2,4,6-trimethylphenyl)phenyl]-2-phenylpyridine-3-carbonitrile?
6-[3-benzoyl-2-(2,4,6-trimethylphenyl)phenyl]-2-phenylpyridine-3-carbonitrile has a molecular weight of 478.60 g/mol, XLogP of 8.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-benzoyl-2-(2,4,6-trimethylphenyl)phenyl]-2-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 175217932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).