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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Related Compounds

3-benzyl-5-(4-ethylphenyl)-2-(4-fluorophenyl)-6-(4-methylphenyl)pyridine
CID 57408846
1-benzyl-2,4,5-triphenylbenzene
CID 143291526
2,6-diphenyl-3,5-bis(4-phenylphenyl)pyridine
CID 122233247
2,5,6-triphenylpyridin-3-ol
CID 134913850
[3-[3-benzyl-8-(trifluoromethyl)quinolin-2-yl]phenyl]methanol
CID 90873041
2-benzyl-5-phenylbenzene-1,4-diamine
CID 141053780
2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine
CID 162709142
[4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524189
2-[4-(2-benzylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 158668516
3,4-dibenzyl-2,6-dimethylpyridine
CID 139645873
5-benzyl-2,4-diphenyl-1H-imidazole
CID 175414335

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).