2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine

C51H35N3 — CID 171052309

IUPAC2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)nc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)n3)cc2)cc1
InChIInChI=1S/C51H35N3/c1-5-14-36(15-6-1)38-24-28-42(29-25-38)49-52-50(43-30-26-39(27-31-43)45-23-13-22-44(34-45)37-16-7-2-8-17-37)54-51(53-49)46-32-33-47(40-18-9-3-10-19-40)48(35-46)41-20-11-4-12-21-41/h1-35H
InChIKeyIBCDNVVAQJOUPM-UHFFFAOYSA-N
MW689.86 g/mol
LogP13.21
Rot. Bonds8

About 2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine

2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 171052309) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is 2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID171052309
Molecular FormulaC51H35N3
Molecular Weight689.86 g/mol
Exact Mass689.28
IUPAC Name2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)nc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)n3)cc2)cc1
InChIInChI=1S/C51H35N3/c1-5-14-36(15-6-1)38-24-28-42(29-25-38)49-52-50(43-30-26-39(27-31-43)45-23-13-22-44(34-45)37-16-7-2-8-17-37)54-51(53-49)46-32-33-47(40-18-9-3-10-19-40)48(35-46)41-20-11-4-12-21-41/h1-35H
InChIKeyIBCDNVVAQJOUPM-UHFFFAOYSA-N
XLogP13.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine (CID 171052309) is 2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)nc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)n3)cc2)cc1.
What is the InChIKey of 2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is IBCDNVVAQJOUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3/c1-5-14-36(15-6-1)38-24-28-42(29-25-38)49-52-50(43-30-26-39(27-31-43)45-23-13-22-44(34-45)37-16-7-2-8-17-37)54-51(53-49)46-32-33-47(40-18-9-3-10-19-40)48(35-46)41-20-11-4-12-21-41/h1-35H.
What are the key properties of 2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine?
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 689.86 g/mol, XLogP of 13.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 171052309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).