2-(3-phenanthren-3-yl-5-pyridin-4-ylphenyl)-4,6-diphenylpyridine

C42H28N2 — CID 122415977

IUPAC2-(3-phenanthren-3-yl-5-pyridin-4-ylphenyl)-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccncc4)cc(-c4ccc5ccc6ccccc6c5c4)c3)c2)cc1
InChIInChI=1S/C42H28N2/c1-3-9-29(10-4-1)37-27-41(33-12-5-2-6-13-33)44-42(28-37)38-24-35(30-19-21-43-22-20-30)23-36(25-38)34-18-17-32-16-15-31-11-7-8-14-39(31)40(32)26-34/h1-28H
InChIKeyWMAFYEBSDMLEJG-UHFFFAOYSA-N
MW560.70 g/mol
LogP11.12
Rot. Bonds5

About 2-(3-phenanthren-3-yl-5-pyridin-4-ylphenyl)-4,6-diphenylpyridine

2-(3-phenanthren-3-yl-5-pyridin-4-ylphenyl)-4,6-diphenylpyridine (PubChem CID 122415977) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 2-(3-phenanthren-3-yl-5-pyridin-4-ylphenyl)-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-(3-phenanthren-3-yl-5-pyridin-4-ylphenyl)-4,6-diphenylpyridine
PubChem CID122415977
Molecular FormulaC42H28N2
Molecular Weight560.70 g/mol
Exact Mass560.23
IUPAC Name2-(3-phenanthren-3-yl-5-pyridin-4-ylphenyl)-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccncc4)cc(-c4ccc5ccc6ccccc6c5c4)c3)c2)cc1
InChIInChI=1S/C42H28N2/c1-3-9-29(10-4-1)37-27-41(33-12-5-2-6-13-33)44-42(28-37)38-24-35(30-19-21-43-22-20-30)23-36(25-38)34-18-17-32-16-15-31-11-7-8-14-39(31)40(32)26-34/h1-28H
InChIKeyWMAFYEBSDMLEJG-UHFFFAOYSA-N
XLogP11.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(3-phenanthren-3-yl-5-pyridin-4-ylphenyl)-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

Related Compounds

6-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]benzo[k]phenanthridine
CID 118332120
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684
2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine
CID 176622498
2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 139518099
2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine
CID 130355484
2,4-diphenyl-6-(3-pyridin-3-yl-5-pyridin-4-ylphenyl)pyridine
CID 118582495
5-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-3-ylphenyl]-1H-indole
CID 155180499
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine
CID 154599724
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenanthren-3-yl-5-pyridin-4-ylphenyl)-4,6-diphenylpyridine?
The IUPAC name of 2-(3-phenanthren-3-yl-5-pyridin-4-ylphenyl)-4,6-diphenylpyridine (CID 122415977) is 2-(3-phenanthren-3-yl-5-pyridin-4-ylphenyl)-4,6-diphenylpyridine.
What is the SMILES notation for 2-(3-phenanthren-3-yl-5-pyridin-4-ylphenyl)-4,6-diphenylpyridine?
The canonical SMILES for 2-(3-phenanthren-3-yl-5-pyridin-4-ylphenyl)-4,6-diphenylpyridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccncc4)cc(-c4ccc5ccc6ccccc6c5c4)c3)c2)cc1.
What is the InChIKey of 2-(3-phenanthren-3-yl-5-pyridin-4-ylphenyl)-4,6-diphenylpyridine?
The InChIKey is WMAFYEBSDMLEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2/c1-3-9-29(10-4-1)37-27-41(33-12-5-2-6-13-33)44-42(28-37)38-24-35(30-19-21-43-22-20-30)23-36(25-38)34-18-17-32-16-15-31-11-7-8-14-39(31)40(32)26-34/h1-28H.
What are the key properties of 2-(3-phenanthren-3-yl-5-pyridin-4-ylphenyl)-4,6-diphenylpyridine?
2-(3-phenanthren-3-yl-5-pyridin-4-ylphenyl)-4,6-diphenylpyridine has a molecular weight of 560.70 g/mol, XLogP of 11.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenanthren-3-yl-5-pyridin-4-ylphenyl)-4,6-diphenylpyridine is sourced from PubChem (CID 122415977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).