2-methyl-3,4,5,6-tetraphenylpyridine

C30H23N — CID 633902

IUPAC2-methyl-3,4,5,6-tetraphenylpyridine
SMILESCc1nc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H23N/c1-22-27(23-14-6-2-7-15-23)28(24-16-8-3-9-17-24)29(25-18-10-4-11-19-25)30(31-22)26-20-12-5-13-21-26/h2-21H,1H3
InChIKeyQNZOZTPUENSVLL-UHFFFAOYSA-N
MW397.52 g/mol
LogP8.06
Rot. Bonds4

About 2-methyl-3,4,5,6-tetraphenylpyridine

2-methyl-3,4,5,6-tetraphenylpyridine (PubChem CID 633902) has the molecular formula C30H23N and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-methyl-3,4,5,6-tetraphenylpyridine.

Molecular Properties

Compound Name2-methyl-3,4,5,6-tetraphenylpyridine
PubChem CID633902
Molecular FormulaC30H23N
Molecular Weight397.52 g/mol
Exact Mass397.18
IUPAC Name2-methyl-3,4,5,6-tetraphenylpyridine
SMILESCc1nc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H23N/c1-22-27(23-14-6-2-7-15-23)28(24-16-8-3-9-17-24)29(25-18-10-4-11-19-25)30(31-22)26-20-12-5-13-21-26/h2-21H,1H3
InChIKeyQNZOZTPUENSVLL-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-methyl-3,4,5,6-tetraphenylpyridine?
The IUPAC name of 2-methyl-3,4,5,6-tetraphenylpyridine (CID 633902) is 2-methyl-3,4,5,6-tetraphenylpyridine.
What is the SMILES notation for 2-methyl-3,4,5,6-tetraphenylpyridine?
The canonical SMILES for 2-methyl-3,4,5,6-tetraphenylpyridine is Cc1nc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-methyl-3,4,5,6-tetraphenylpyridine?
The InChIKey is QNZOZTPUENSVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N/c1-22-27(23-14-6-2-7-15-23)28(24-16-8-3-9-17-24)29(25-18-10-4-11-19-25)30(31-22)26-20-12-5-13-21-26/h2-21H,1H3.
What are the key properties of 2-methyl-3,4,5,6-tetraphenylpyridine?
2-methyl-3,4,5,6-tetraphenylpyridine 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-methyl-3,4,5,6-tetraphenylpyridine is sourced from PubChem (CID 633902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).