4-[bis(2,6-diphenyl-4-pyridinyl)methyl]-2,6-diphenylpyridine

C52H37N3 — CID 134943056

IUPAC4-[bis(2,6-diphenyl-4-pyridinyl)methyl]-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(C(c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H37N3/c1-7-19-37(20-8-1)46-31-43(32-47(53-46)38-21-9-2-10-22-38)52(44-33-48(39-23-11-3-12-24-39)54-49(34-44)40-25-13-4-14-26-40)45-35-50(41-27-15-5-16-28-41)55-51(36-45)42-29-17-6-18-30-42/h1-36,52H
InChIKeyGVPBIMHTXDDGGR-UHFFFAOYSA-N
MW703.89 g/mol
LogP13.05
Rot. Bonds9

About 4-[bis(2,6-diphenyl-4-pyridinyl)methyl]-2,6-diphenylpyridine

4-[bis(2,6-diphenyl-4-pyridinyl)methyl]-2,6-diphenylpyridine (PubChem CID 134943056) has the molecular formula C52H37N3 and a molecular weight of 703.89 g/mol. Its IUPAC name is 4-[bis(2,6-diphenyl-4-pyridinyl)methyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[bis(2,6-diphenyl-4-pyridinyl)methyl]-2,6-diphenylpyridine
PubChem CID134943056
Molecular FormulaC52H37N3
Molecular Weight703.89 g/mol
Exact Mass703.30
IUPAC Name4-[bis(2,6-diphenyl-4-pyridinyl)methyl]-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(C(c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H37N3/c1-7-19-37(20-8-1)46-31-43(32-47(53-46)38-21-9-2-10-22-38)52(44-33-48(39-23-11-3-12-24-39)54-49(34-44)40-25-13-4-14-26-40)45-35-50(41-27-15-5-16-28-41)55-51(36-45)42-29-17-6-18-30-42/h1-36,52H
InChIKeyGVPBIMHTXDDGGR-UHFFFAOYSA-N
XLogP13.05
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[bis(2,6-diphenyl-4-pyridinyl)methyl]-2,6-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 4-[bis(2,6-diphenyl-4-pyridinyl)methyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[bis(2,6-diphenyl-4-pyridinyl)methyl]-2,6-diphenylpyridine (CID 134943056) is 4-[bis(2,6-diphenyl-4-pyridinyl)methyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[bis(2,6-diphenyl-4-pyridinyl)methyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[bis(2,6-diphenyl-4-pyridinyl)methyl]-2,6-diphenylpyridine is c1ccc(-c2cc(C(c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[bis(2,6-diphenyl-4-pyridinyl)methyl]-2,6-diphenylpyridine?
The InChIKey is GVPBIMHTXDDGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3/c1-7-19-37(20-8-1)46-31-43(32-47(53-46)38-21-9-2-10-22-38)52(44-33-48(39-23-11-3-12-24-39)54-49(34-44)40-25-13-4-14-26-40)45-35-50(41-27-15-5-16-28-41)55-51(36-45)42-29-17-6-18-30-42/h1-36,52H.
What are the key properties of 4-[bis(2,6-diphenyl-4-pyridinyl)methyl]-2,6-diphenylpyridine?
4-[bis(2,6-diphenyl-4-pyridinyl)methyl]-2,6-diphenylpyridine has a molecular weight of 703.89 g/mol, XLogP of 13.05, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2,6-diphenyl-4-pyridinyl)methyl]-2,6-diphenylpyridine is sourced from PubChem (CID 134943056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).