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

C27H18ClN3 — CID 90177143

IUPAC2-[3-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESClc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C27H18ClN3/c28-24-16-14-19(15-17-24)22-12-7-13-23(18-22)27-30-25(20-8-3-1-4-9-20)29-26(31-27)21-10-5-2-6-11-21/h1-18H
InChIKeyNOXDCUCUJFTIHW-UHFFFAOYSA-N
MW419.92 g/mol
LogP7.19
Rot. Bonds4

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

2-[3-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 90177143) has the molecular formula C27H18ClN3 and a molecular weight of 419.92 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID90177143
Molecular FormulaC27H18ClN3
Molecular Weight419.92 g/mol
Exact Mass419.12
IUPAC Name2-[3-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESClc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C27H18ClN3/c28-24-16-14-19(15-17-24)22-12-7-13-23(18-22)27-30-25(20-8-3-1-4-9-20)29-26(31-27)21-10-5-2-6-11-21/h1-18H
InChIKeyNOXDCUCUJFTIHW-UHFFFAOYSA-N
XLogP7.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.92
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 90177143) is 2-[3-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is Clc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is NOXDCUCUJFTIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClN3/c28-24-16-14-19(15-17-24)22-12-7-13-23(18-22)27-30-25(20-8-3-1-4-9-20)29-26(31-27)21-10-5-2-6-11-21/h1-18H.
What are the key properties of 2-[3-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 419.92 g/mol, XLogP of 7.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 90177143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).