3-benzyl-2,5,6-triphenylpyridine

C30H23N — CID 102424819

IUPAC3-benzyl-2,5,6-triphenylpyridine
SMILESc1ccc(Cc2cc(-c3ccccc3)c(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C30H23N/c1-5-13-23(14-6-1)21-27-22-28(24-15-7-2-8-16-24)30(26-19-11-4-12-20-26)31-29(27)25-17-9-3-10-18-25/h1-20,22H,21H2
InChIKeyMQRWZBXQCPVDJU-UHFFFAOYSA-N
MW397.52 g/mol
LogP7.67
Rot. Bonds5

About 3-benzyl-2,5,6-triphenylpyridine

3-benzyl-2,5,6-triphenylpyridine (PubChem CID 102424819) has the molecular formula C30H23N and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-benzyl-2,5,6-triphenylpyridine.

Molecular Properties

Compound Name3-benzyl-2,5,6-triphenylpyridine
PubChem CID102424819
Molecular FormulaC30H23N
Molecular Weight397.52 g/mol
Exact Mass397.18
IUPAC Name3-benzyl-2,5,6-triphenylpyridine
SMILESc1ccc(Cc2cc(-c3ccccc3)c(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C30H23N/c1-5-13-23(14-6-1)21-27-22-28(24-15-7-2-8-16-24)30(26-19-11-4-12-20-26)31-29(27)25-17-9-3-10-18-25/h1-20,22H,21H2
InChIKeyMQRWZBXQCPVDJU-UHFFFAOYSA-N
XLogP7.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2,5,6-triphenylpyridine?
The IUPAC name of 3-benzyl-2,5,6-triphenylpyridine (CID 102424819) is 3-benzyl-2,5,6-triphenylpyridine.
What is the SMILES notation for 3-benzyl-2,5,6-triphenylpyridine?
The canonical SMILES for 3-benzyl-2,5,6-triphenylpyridine is c1ccc(Cc2cc(-c3ccccc3)c(-c3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of 3-benzyl-2,5,6-triphenylpyridine?
The InChIKey is MQRWZBXQCPVDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N/c1-5-13-23(14-6-1)21-27-22-28(24-15-7-2-8-16-24)30(26-19-11-4-12-20-26)31-29(27)25-17-9-3-10-18-25/h1-20,22H,21H2.
What are the key properties of 3-benzyl-2,5,6-triphenylpyridine?
3-benzyl-2,5,6-triphenylpyridine has a molecular weight of 397.52 g/mol, XLogP of 7.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2,5,6-triphenylpyridine is sourced from PubChem (CID 102424819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).