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

C39H27N3 — CID 171052509

IUPAC2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C39H27N3/c1-5-13-28(14-6-1)30-21-23-33(24-22-30)38-40-37(32-19-11-4-12-20-32)41-39(42-38)36-27-34(29-15-7-2-8-16-29)25-26-35(36)31-17-9-3-10-18-31/h1-27H
InChIKeyYESXWJKBHLJPIB-UHFFFAOYSA-N
MW537.67 g/mol
LogP9.87
Rot. Bonds6

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

2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 171052509) has the molecular formula C39H27N3 and a molecular weight of 537.67 g/mol. Its IUPAC name is 2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID171052509
Molecular FormulaC39H27N3
Molecular Weight537.67 g/mol
Exact Mass537.22
IUPAC Name2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C39H27N3/c1-5-13-28(14-6-1)30-21-23-33(24-22-30)38-40-37(32-19-11-4-12-20-32)41-39(42-38)36-27-34(29-15-7-2-8-16-29)25-26-35(36)31-17-9-3-10-18-31/h1-27H
InChIKeyYESXWJKBHLJPIB-UHFFFAOYSA-N
XLogP9.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.67
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 171052509) is 2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is YESXWJKBHLJPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3/c1-5-13-28(14-6-1)30-21-23-33(24-22-30)38-40-37(32-19-11-4-12-20-32)41-39(42-38)36-27-34(29-15-7-2-8-16-29)25-26-35(36)31-17-9-3-10-18-31/h1-27H.
What are the key properties of 2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 537.67 g/mol, XLogP of 9.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 171052509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).