2-[4-(4,6-diphenyl-2-pyridinyl)-2,5-bis(2-methylphenyl)phenyl]-4,6-diphenylpyridine

C54H40N2 — CID 59609388

IUPAC2-[4-(4,6-diphenyl-2-pyridinyl)-2,5-bis(2-methylphenyl)phenyl]-4,6-diphenylpyridine
SMILESCc1ccccc1-c1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c(-c2ccccc2C)cc1-c1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C54H40N2/c1-37-19-15-17-29-45(37)47-35-50(54-34-44(40-23-9-4-10-24-40)32-52(56-54)42-27-13-6-14-28-42)48(46-30-18-16-20-38(46)2)36-49(47)53-33-43(39-21-7-3-8-22-39)31-51(55-53)41-25-11-5-12-26-41/h3-36H,1-2H3
InChIKeyMOKBBXXOGGGPBF-UHFFFAOYSA-N
MW716.93 g/mol
LogP14.43
Rot. Bonds8

About 2-[4-(4,6-diphenyl-2-pyridinyl)-2,5-bis(2-methylphenyl)phenyl]-4,6-diphenylpyridine

2-[4-(4,6-diphenyl-2-pyridinyl)-2,5-bis(2-methylphenyl)phenyl]-4,6-diphenylpyridine (PubChem CID 59609388) has the molecular formula C54H40N2 and a molecular weight of 716.93 g/mol. Its IUPAC name is 2-[4-(4,6-diphenyl-2-pyridinyl)-2,5-bis(2-methylphenyl)phenyl]-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-[4-(4,6-diphenyl-2-pyridinyl)-2,5-bis(2-methylphenyl)phenyl]-4,6-diphenylpyridine
PubChem CID59609388
Molecular FormulaC54H40N2
Molecular Weight716.93 g/mol
Exact Mass716.32
IUPAC Name2-[4-(4,6-diphenyl-2-pyridinyl)-2,5-bis(2-methylphenyl)phenyl]-4,6-diphenylpyridine
SMILESCc1ccccc1-c1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c(-c2ccccc2C)cc1-c1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C54H40N2/c1-37-19-15-17-29-45(37)47-35-50(54-34-44(40-23-9-4-10-24-40)32-52(56-54)42-27-13-6-14-28-42)48(46-30-18-16-20-38(46)2)36-49(47)53-33-43(39-21-7-3-8-22-39)31-51(55-53)41-25-11-5-12-26-41/h3-36H,1-2H3
InChIKeyMOKBBXXOGGGPBF-UHFFFAOYSA-N
XLogP14.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.93
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(4,6-diphenyl-2-pyridinyl)-2,5-bis(2-methylphenyl)phenyl]-4,6-diphenylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-diphenyl-2-pyridinyl)-2,5-bis(2-methylphenyl)phenyl]-4,6-diphenylpyridine?
The IUPAC name of 2-[4-(4,6-diphenyl-2-pyridinyl)-2,5-bis(2-methylphenyl)phenyl]-4,6-diphenylpyridine (CID 59609388) is 2-[4-(4,6-diphenyl-2-pyridinyl)-2,5-bis(2-methylphenyl)phenyl]-4,6-diphenylpyridine.
What is the SMILES notation for 2-[4-(4,6-diphenyl-2-pyridinyl)-2,5-bis(2-methylphenyl)phenyl]-4,6-diphenylpyridine?
The canonical SMILES for 2-[4-(4,6-diphenyl-2-pyridinyl)-2,5-bis(2-methylphenyl)phenyl]-4,6-diphenylpyridine is Cc1ccccc1-c1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c(-c2ccccc2C)cc1-c1cc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-[4-(4,6-diphenyl-2-pyridinyl)-2,5-bis(2-methylphenyl)phenyl]-4,6-diphenylpyridine?
The InChIKey is MOKBBXXOGGGPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2/c1-37-19-15-17-29-45(37)47-35-50(54-34-44(40-23-9-4-10-24-40)32-52(56-54)42-27-13-6-14-28-42)48(46-30-18-16-20-38(46)2)36-49(47)53-33-43(39-21-7-3-8-22-39)31-51(55-53)41-25-11-5-12-26-41/h3-36H,1-2H3.
What are the key properties of 2-[4-(4,6-diphenyl-2-pyridinyl)-2,5-bis(2-methylphenyl)phenyl]-4,6-diphenylpyridine?
2-[4-(4,6-diphenyl-2-pyridinyl)-2,5-bis(2-methylphenyl)phenyl]-4,6-diphenylpyridine has a molecular weight of 716.93 g/mol, XLogP of 14.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-diphenyl-2-pyridinyl)-2,5-bis(2-methylphenyl)phenyl]-4,6-diphenylpyridine is sourced from PubChem (CID 59609388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).