2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine

C30H23N — CID 12582139

IUPAC2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
SMILESCc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C30H23N/c1-22-12-14-26(15-13-22)29-20-28(24-10-6-3-7-11-24)21-30(31-29)27-18-16-25(17-19-27)23-8-4-2-5-9-23/h2-21H,1H3
InChIKeyPRMUIHZLZADMRK-UHFFFAOYSA-N
MW397.52 g/mol
LogP8.06
Rot. Bonds4

About 2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine

2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine (PubChem CID 12582139) has the molecular formula C30H23N and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
PubChem CID12582139
Molecular FormulaC30H23N
Molecular Weight397.52 g/mol
Exact Mass397.18
IUPAC Name2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
SMILESCc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C30H23N/c1-22-12-14-26(15-13-22)29-20-28(24-10-6-3-7-11-24)21-30(31-29)27-18-16-25(17-19-27)23-8-4-2-5-9-23/h2-21H,1H3
InChIKeyPRMUIHZLZADMRK-UHFFFAOYSA-N
XLogP8.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine?
The IUPAC name of 2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine (CID 12582139) is 2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine.
What is the SMILES notation for 2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine?
The canonical SMILES for 2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine is Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine?
The InChIKey is PRMUIHZLZADMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N/c1-22-12-14-26(15-13-22)29-20-28(24-10-6-3-7-11-24)21-30(31-29)27-18-16-25(17-19-27)23-8-4-2-5-9-23/h2-21H,1H3.
What are the key properties of 2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine?
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine has a molecular weight of 397.52 g/mol, XLogP of 8.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine is sourced from PubChem (CID 12582139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).