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

C27H18ClN3 — CID 123986773

IUPAC2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2-c2ccccc2)n1
InChIInChI=1S/C27H18ClN3/c28-27-30-25(21-14-8-3-9-15-21)29-26(31-27)23-17-16-22(19-10-4-1-5-11-19)18-24(23)20-12-6-2-7-13-20/h1-18H
InChIKeyBBJXCOCYAOOPJM-UHFFFAOYSA-N
MW419.92 g/mol
LogP7.19
Rot. Bonds4

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

2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 123986773) has the molecular formula C27H18ClN3 and a molecular weight of 419.92 g/mol. Its IUPAC name is 2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID123986773
Molecular FormulaC27H18ClN3
Molecular Weight419.92 g/mol
Exact Mass419.12
IUPAC Name2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2-c2ccccc2)n1
InChIInChI=1S/C27H18ClN3/c28-27-30-25(21-14-8-3-9-15-21)29-26(31-27)23-17-16-22(19-10-4-1-5-11-19)18-24(23)20-12-6-2-7-13-20/h1-18H
InChIKeyBBJXCOCYAOOPJM-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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Related Compounds

2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052536
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052556
2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171052509
2,4,6-tris(2,4-diphenylphenyl)-1,3,5-triazine
CID 171052464
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052413
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052347
2-(2,5-diphenylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052606
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052309
2-chloro-4-(7-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 170691035
2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052399
2-[3-[3-(2,4-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171440358

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine (CID 123986773) is 2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine is Clc1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2-c2ccccc2)n1.
What is the InChIKey of 2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is BBJXCOCYAOOPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClN3/c28-27-30-25(21-14-8-3-9-15-21)29-26(31-27)23-17-16-22(19-10-4-1-5-11-19)18-24(23)20-12-6-2-7-13-20/h1-18H.
What are the key properties of 2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine?
2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-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-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 123986773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).