2-[2-[bis(2-pyridin-2-ylphenyl)methyl]phenyl]-4-methyl-5-phenylpyridine

C41H31N3 — CID 146333792

IUPAC2-[2-[bis(2-pyridin-2-ylphenyl)methyl]phenyl]-4-methyl-5-phenylpyridine
SMILESCc1cc(-c2ccccc2C(c2ccccc2-c2ccccn2)c2ccccc2-c2ccccn2)ncc1-c1ccccc1
InChIInChI=1S/C41H31N3/c1-29-27-40(44-28-37(29)30-15-3-2-4-16-30)33-19-7-10-22-36(33)41(34-20-8-5-17-31(34)38-23-11-13-25-42-38)35-21-9-6-18-32(35)39-24-12-14-26-43-39/h2-28,41H,1H3
InChIKeyIJMYPVVSZZQZGF-UHFFFAOYSA-N
MW565.72 g/mol
LogP10.03
Rot. Bonds7

About 2-[2-[bis(2-pyridin-2-ylphenyl)methyl]phenyl]-4-methyl-5-phenylpyridine

2-[2-[bis(2-pyridin-2-ylphenyl)methyl]phenyl]-4-methyl-5-phenylpyridine (PubChem CID 146333792) has the molecular formula C41H31N3 and a molecular weight of 565.72 g/mol. Its IUPAC name is 2-[2-[bis(2-pyridin-2-ylphenyl)methyl]phenyl]-4-methyl-5-phenylpyridine.

Molecular Properties

Compound Name2-[2-[bis(2-pyridin-2-ylphenyl)methyl]phenyl]-4-methyl-5-phenylpyridine
PubChem CID146333792
Molecular FormulaC41H31N3
Molecular Weight565.72 g/mol
Exact Mass565.25
IUPAC Name2-[2-[bis(2-pyridin-2-ylphenyl)methyl]phenyl]-4-methyl-5-phenylpyridine
SMILESCc1cc(-c2ccccc2C(c2ccccc2-c2ccccn2)c2ccccc2-c2ccccn2)ncc1-c1ccccc1
InChIInChI=1S/C41H31N3/c1-29-27-40(44-28-37(29)30-15-3-2-4-16-30)33-19-7-10-22-36(33)41(34-20-8-5-17-31(34)38-23-11-13-25-42-38)35-21-9-6-18-32(35)39-24-12-14-26-43-39/h2-28,41H,1H3
InChIKeyIJMYPVVSZZQZGF-UHFFFAOYSA-N
XLogP10.03
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.72
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[2-[bis(2-pyridin-2-ylphenyl)methyl]phenyl]-4-methyl-5-phenylpyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-methyl-5-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 146397355
iridium;tris(4-methyl-2,5-diphenylpyridine)
CID 158257140
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine
CID 140838393
2-(4-chlorophenyl)-4-methyl-5-pyridin-2-ylpyridine
CID 23550256
ethane;4-methyl-2-(4-methylphenyl)-5-phenylpyridine
CID 142296902
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
2-(2-propan-2-ylphenyl)pyridine
CID 55253137
4-methyl-5-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]pyridine
CID 168822169
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708
bis(4-methyl-5-phenyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
CID 140775460
2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-methyl-5-phenylpyridine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-5-phenyl-4-(trideuteriomethyl)pyridine;bis(iridium(3+))
CID 157084353

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(2-pyridin-2-ylphenyl)methyl]phenyl]-4-methyl-5-phenylpyridine?
The IUPAC name of 2-[2-[bis(2-pyridin-2-ylphenyl)methyl]phenyl]-4-methyl-5-phenylpyridine (CID 146333792) is 2-[2-[bis(2-pyridin-2-ylphenyl)methyl]phenyl]-4-methyl-5-phenylpyridine.
What is the SMILES notation for 2-[2-[bis(2-pyridin-2-ylphenyl)methyl]phenyl]-4-methyl-5-phenylpyridine?
The canonical SMILES for 2-[2-[bis(2-pyridin-2-ylphenyl)methyl]phenyl]-4-methyl-5-phenylpyridine is Cc1cc(-c2ccccc2C(c2ccccc2-c2ccccn2)c2ccccc2-c2ccccn2)ncc1-c1ccccc1.
What is the InChIKey of 2-[2-[bis(2-pyridin-2-ylphenyl)methyl]phenyl]-4-methyl-5-phenylpyridine?
The InChIKey is IJMYPVVSZZQZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N3/c1-29-27-40(44-28-37(29)30-15-3-2-4-16-30)33-19-7-10-22-36(33)41(34-20-8-5-17-31(34)38-23-11-13-25-42-38)35-21-9-6-18-32(35)39-24-12-14-26-43-39/h2-28,41H,1H3.
What are the key properties of 2-[2-[bis(2-pyridin-2-ylphenyl)methyl]phenyl]-4-methyl-5-phenylpyridine?
2-[2-[bis(2-pyridin-2-ylphenyl)methyl]phenyl]-4-methyl-5-phenylpyridine has a molecular weight of 565.72 g/mol, XLogP of 10.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(2-pyridin-2-ylphenyl)methyl]phenyl]-4-methyl-5-phenylpyridine is sourced from PubChem (CID 146333792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).