2-phenyl-4-[3-[3-(3-phenyltriphenylen-1-yl)phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine

C56H36N4 — CID 163633543

IUPAC2-phenyl-4-[3-[3-(3-phenyltriphenylen-1-yl)phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccn7)cc6)n5)c4)c3)c3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C56H36N4/c1-3-15-37(16-4-1)45-35-50(53-49-26-10-9-24-47(49)46-23-7-8-25-48(46)51(53)36-45)43-21-13-19-41(33-43)42-20-14-22-44(34-42)56-59-54(39-17-5-2-6-18-39)58-55(60-56)40-30-28-38(29-31-40)52-27-11-12-32-57-52/h1-36H
InChIKeyHYDNGDWAKOYREG-UHFFFAOYSA-N
MW764.93 g/mol
LogP14.40
Rot. Bonds7

About 2-phenyl-4-[3-[3-(3-phenyltriphenylen-1-yl)phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine

2-phenyl-4-[3-[3-(3-phenyltriphenylen-1-yl)phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine (PubChem CID 163633543) has the molecular formula C56H36N4 and a molecular weight of 764.93 g/mol. Its IUPAC name is 2-phenyl-4-[3-[3-(3-phenyltriphenylen-1-yl)phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[3-[3-(3-phenyltriphenylen-1-yl)phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
PubChem CID163633543
Molecular FormulaC56H36N4
Molecular Weight764.93 g/mol
Exact Mass764.29
IUPAC Name2-phenyl-4-[3-[3-(3-phenyltriphenylen-1-yl)phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccn7)cc6)n5)c4)c3)c3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C56H36N4/c1-3-15-37(16-4-1)45-35-50(53-49-26-10-9-24-47(49)46-23-7-8-25-48(46)51(53)36-45)43-21-13-19-41(33-43)42-20-14-22-44(34-42)56-59-54(39-17-5-2-6-18-39)58-55(60-56)40-30-28-38(29-31-40)52-27-11-12-32-57-52/h1-36H
InChIKeyHYDNGDWAKOYREG-UHFFFAOYSA-N
XLogP14.40
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.93
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-phenyl-4-[3-[3-(3-phenyltriphenylen-1-yl)phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine 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-phenyl-4-(4-pyridin-2-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 130265192
8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 163900129
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 59510704
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine
CID 130264416
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine;2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-10-(4-phenylphenyl)phenanthridine
CID 158506980
2-[3-[3-(3,5-diphenylphenyl)phenyl]triphenylen-1-yl]-4,6-diphenylpyrimidine
CID 165375591
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130262495
2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 153435461
2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine;2-(3-pyridin-2-yl-5-triphenylen-2-ylphenyl)pyridine;2-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)pyridine;4-(3-pyridin-4-yl-5-triphenylen-2-ylphenyl)pyridine
CID 159367402
22-[3-(4-pyridin-2-ylphenyl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121474705

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[3-[3-(3-phenyltriphenylen-1-yl)phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[3-[3-(3-phenyltriphenylen-1-yl)phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine (CID 163633543) is 2-phenyl-4-[3-[3-(3-phenyltriphenylen-1-yl)phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[3-[3-(3-phenyltriphenylen-1-yl)phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[3-[3-(3-phenyltriphenylen-1-yl)phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccn7)cc6)n5)c4)c3)c3c4ccccc4c4ccccc4c3c2)cc1.
What is the InChIKey of 2-phenyl-4-[3-[3-(3-phenyltriphenylen-1-yl)phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine?
The InChIKey is HYDNGDWAKOYREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4/c1-3-15-37(16-4-1)45-35-50(53-49-26-10-9-24-47(49)46-23-7-8-25-48(46)51(53)36-45)43-21-13-19-41(33-43)42-20-14-22-44(34-42)56-59-54(39-17-5-2-6-18-39)58-55(60-56)40-30-28-38(29-31-40)52-27-11-12-32-57-52/h1-36H.
What are the key properties of 2-phenyl-4-[3-[3-(3-phenyltriphenylen-1-yl)phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine?
2-phenyl-4-[3-[3-(3-phenyltriphenylen-1-yl)phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine has a molecular weight of 764.93 g/mol, XLogP of 14.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[3-[3-(3-phenyltriphenylen-1-yl)phenyl]phenyl]-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 163633543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).