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

C39H26ClN3 — CID 142425266

IUPAC2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)cc3)n2)cc1
InChIInChI=1S/C39H26ClN3/c40-36-24-22-33(23-25-36)39-42-37(31-10-5-2-6-11-31)41-38(43-39)32-20-18-30(19-21-32)35-13-7-12-34(26-35)29-16-14-28(15-17-29)27-8-3-1-4-9-27/h1-26H
InChIKeyIZOCAJQTTSUHLB-UHFFFAOYSA-N
MW572.11 g/mol
LogP10.53
Rot. Bonds6

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

2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 142425266) has the molecular formula C39H26ClN3 and a molecular weight of 572.11 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
PubChem CID142425266
Molecular FormulaC39H26ClN3
Molecular Weight572.11 g/mol
Exact Mass571.18
IUPAC Name2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)cc3)n2)cc1
InChIInChI=1S/C39H26ClN3/c40-36-24-22-33(23-25-36)39-42-37(31-10-5-2-6-11-31)41-38(43-39)32-20-18-30(19-21-32)35-13-7-12-34(26-35)29-16-14-28(15-17-29)27-8-3-1-4-9-27/h1-26H
InChIKeyIZOCAJQTTSUHLB-UHFFFAOYSA-N
XLogP10.53
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.11
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine (CID 142425266) is 2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine is Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)cc3)n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine?
The InChIKey is IZOCAJQTTSUHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26ClN3/c40-36-24-22-33(23-25-36)39-42-37(31-10-5-2-6-11-31)41-38(43-39)32-20-18-30(19-21-32)35-13-7-12-34(26-35)29-16-14-28(15-17-29)27-8-3-1-4-9-27/h1-26H.
What are the key properties of 2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine?
2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 572.11 g/mol, XLogP of 10.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 142425266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).