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

C51H35N3 — CID 171052510

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

SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6ccccc6-c6ccccc6)c5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)cc1

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

InChIKeyJQBNVUYWPAHSRP-UHFFFAOYSA-N

MW689.86 g/mol

LogP13.21

Rot. Bonds8

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

2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 171052510) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name	2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
PubChem CID	171052510
Molecular Formula	C51H35N3
Molecular Weight	689.86 g/mol
Exact Mass	689.28
IUPAC Name	2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
SMILES	c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6ccccc6-c6ccccc6)c5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)cc1
InChI	InChI=1S/C51H35N3/c1-4-14-36(15-5-1)38-26-30-41(31-27-38)49-52-50(54-51(53-49)46-23-13-21-44(35-46)37-16-6-2-7-17-37)42-32-28-39(29-33-42)43-20-12-22-45(34-43)48-25-11-10-24-47(48)40-18-8-3-9-19-40/h1-35H
InChIKey	JQBNVUYWPAHSRP-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-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine?

The IUPAC name of 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine (CID 171052510) is 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine.

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

The canonical SMILES for 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6ccccc6-c6ccccc6)c5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)cc1.

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

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

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

2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]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-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 171052510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).