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

C51H35N3 — CID 171052348

IUPAC2-(3-phenylphenyl)-4-[2-(2-phenylphenyl)phenyl]-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine

SMILESc1ccc(-c2ccc(-c3ccccc3-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccccc4-c4ccccc4-c4ccccc4)n3)cc2)cc1

InChIInChI=1S/C51H35N3/c1-4-17-36(18-5-1)38-31-33-40(34-32-38)44-26-11-14-29-47(44)50-52-49(42-24-16-23-41(35-42)37-19-6-2-7-20-37)53-51(54-50)48-30-15-13-28-46(48)45-27-12-10-25-43(45)39-21-8-3-9-22-39/h1-35H

InChIKeyVTJZSJRNLIWQLL-UHFFFAOYSA-N

MW689.86 g/mol

LogP13.21

Rot. Bonds8

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

2-(3-phenylphenyl)-4-[2-(2-phenylphenyl)phenyl]-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 171052348) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is 2-(3-phenylphenyl)-4-[2-(2-phenylphenyl)phenyl]-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name	2-(3-phenylphenyl)-4-[2-(2-phenylphenyl)phenyl]-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID	171052348
Molecular Formula	C51H35N3
Molecular Weight	689.86 g/mol
Exact Mass	689.28
IUPAC Name	2-(3-phenylphenyl)-4-[2-(2-phenylphenyl)phenyl]-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
SMILES	c1ccc(-c2ccc(-c3ccccc3-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccccc4-c4ccccc4-c4ccccc4)n3)cc2)cc1
InChI	InChI=1S/C51H35N3/c1-4-17-36(18-5-1)38-31-33-40(34-32-38)44-26-11-14-29-47(44)50-52-49(42-24-16-23-41(35-42)37-19-6-2-7-20-37)53-51(54-50)48-30-15-13-28-46(48)45-27-12-10-25-43(45)39-21-8-3-9-22-39/h1-35H
InChIKey	VTJZSJRNLIWQLL-UHFFFAOYSA-N
XLogP	13.21
TPSA	38.67 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	8
Heavy Atoms	54
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.86
LogP ≤ 5	13.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylphenyl)-4-[2-(2-phenylphenyl)phenyl]-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine?

The IUPAC name of 2-(3-phenylphenyl)-4-[2-(2-phenylphenyl)phenyl]-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine (CID 171052348) is 2-(3-phenylphenyl)-4-[2-(2-phenylphenyl)phenyl]-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-(3-phenylphenyl)-4-[2-(2-phenylphenyl)phenyl]-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine?

The canonical SMILES for 2-(3-phenylphenyl)-4-[2-(2-phenylphenyl)phenyl]-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccccc3-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccccc4-c4ccccc4-c4ccccc4)n3)cc2)cc1.

What is the InChIKey of 2-(3-phenylphenyl)-4-[2-(2-phenylphenyl)phenyl]-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine?

The InChIKey is VTJZSJRNLIWQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3/c1-4-17-36(18-5-1)38-31-33-40(34-32-38)44-26-11-14-29-47(44)50-52-49(42-24-16-23-41(35-42)37-19-6-2-7-20-37)53-51(54-50)48-30-15-13-28-46(48)45-27-12-10-25-43(45)39-21-8-3-9-22-39/h1-35H.

What are the key properties of 2-(3-phenylphenyl)-4-[2-(2-phenylphenyl)phenyl]-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine?

2-(3-phenylphenyl)-4-[2-(2-phenylphenyl)phenyl]-6-[2-(4-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-phenylphenyl)-4-[2-(2-phenylphenyl)phenyl]-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 171052348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).