4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine

C54H36N2 — CID 59428688

IUPAC4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc(-c4cc5ccccc5c5ccccc45)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C54H36N2/c1-5-17-37(18-6-1)51-33-44(34-52(55-51)38-19-7-2-8-20-38)42-29-43(31-46(30-42)50-32-41-25-13-14-26-47(41)48-27-15-16-28-49(48)50)45-35-53(39-21-9-3-10-22-39)56-54(36-45)40-23-11-4-12-24-40/h1-36H
InChIKeyVVDOTXYSANQXQF-UHFFFAOYSA-N
MW712.90 g/mol
LogP14.45
Rot. Bonds7

About 4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine

4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine (PubChem CID 59428688) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is 4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine
PubChem CID59428688
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC Name4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc(-c4cc5ccccc5c5ccccc45)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C54H36N2/c1-5-17-37(18-6-1)51-33-44(34-52(55-51)38-19-7-2-8-20-38)42-29-43(31-46(30-42)50-32-41-25-13-14-26-47(41)48-27-15-16-28-49(48)50)45-35-53(39-21-9-3-10-22-39)56-54(36-45)40-23-11-4-12-24-40/h1-36H
InChIKeyVVDOTXYSANQXQF-UHFFFAOYSA-N
XLogP14.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-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

Related Compounds

2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine
CID 176622498
4-[3,5-di(phenanthren-9-yl)phenyl]-2,6-diphenylpyrimidine
CID 89416703
4-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-dimethylpyrimidine
CID 122431113
9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
3-[3-phenanthren-9-yl-5-[6-phenyl-4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenanthro[9,10-b]pyrazine
CID 176622478
4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,6-di(phenanthren-9-yl)benzo[h]quinoline
CID 89016586
2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine
CID 155655416
2-[3-phenanthren-9-yl-5-(4-pyrimidin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 122416031
2-[3-(2,6-dimethyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 176622469
2,6-bis[3-(3-methylphenyl)phenyl]-4-phenylpyridine;2,4-bis(3-methylphenyl)-6-phenylpyridine;2,6-bis(3-methylphenyl)-4-phenylpyridine;2-(3-phenanthren-9-ylphenyl)-6-[6-(3-phenanthren-9-ylphenyl)-2-pyridinyl]pyridine;2,4,6-tris(3-methylphenyl)pyridine
CID 158324934
4,6-bis(3-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 89416701
4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine
CID 166685143

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine (CID 59428688) is 4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine is c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc(-c4cc5ccccc5c5ccccc45)c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine?
The InChIKey is VVDOTXYSANQXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-5-17-37(18-6-1)51-33-44(34-52(55-51)38-19-7-2-8-20-38)42-29-43(31-46(30-42)50-32-41-25-13-14-26-47(41)48-27-15-16-28-49(48)50)45-35-53(39-21-9-3-10-22-39)56-54(36-45)40-23-11-4-12-24-40/h1-36H.
What are the key properties of 4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine?
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine has a molecular weight of 712.90 g/mol, XLogP of 14.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 59428688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).