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

C31H20ClN5 — CID 156767945

IUPAC2-[3-(2-chloropyrimidin-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESClc1nccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2)n1
InChIInChI=1S/C31H20ClN5/c32-31-33-19-18-27(34-31)25-12-7-13-26(20-25)30-36-28(23-10-5-2-6-11-23)35-29(37-30)24-16-14-22(15-17-24)21-8-3-1-4-9-21/h1-20H
InChIKeyLVZCCIMHZILUOF-UHFFFAOYSA-N
MW497.99 g/mol
LogP7.65
Rot. Bonds5

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

2-[3-(2-chloropyrimidin-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 156767945) has the molecular formula C31H20ClN5 and a molecular weight of 497.99 g/mol. Its IUPAC name is 2-[3-(2-chloropyrimidin-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(2-chloropyrimidin-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID156767945
Molecular FormulaC31H20ClN5
Molecular Weight497.99 g/mol
Exact Mass497.14
IUPAC Name2-[3-(2-chloropyrimidin-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESClc1nccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2)n1
InChIInChI=1S/C31H20ClN5/c32-31-33-19-18-27(34-31)25-12-7-13-26(20-25)30-36-28(23-10-5-2-6-11-23)35-29(37-30)24-16-14-22(15-17-24)21-8-3-1-4-9-21/h1-20H
InChIKeyLVZCCIMHZILUOF-UHFFFAOYSA-N
XLogP7.65
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.99
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine
CID 118029072
2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine
CID 178054234
2-[3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-1,3,5-triazine
CID 159229968
2-[3-(4-chloro-2-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171832572
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052596
2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 163754127
2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 158245493
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 158915777
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052337
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 161350824
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 122675664
2,4-diphenyl-6-[3-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167415087

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloropyrimidin-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-(2-chloropyrimidin-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 156767945) is 2-[3-(2-chloropyrimidin-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-(2-chloropyrimidin-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-(2-chloropyrimidin-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is Clc1nccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2)n1.
What is the InChIKey of 2-[3-(2-chloropyrimidin-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is LVZCCIMHZILUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20ClN5/c32-31-33-19-18-27(34-31)25-12-7-13-26(20-25)30-36-28(23-10-5-2-6-11-23)35-29(37-30)24-16-14-22(15-17-24)21-8-3-1-4-9-21/h1-20H.
What are the key properties of 2-[3-(2-chloropyrimidin-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[3-(2-chloropyrimidin-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 497.99 g/mol, XLogP of 7.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloropyrimidin-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 156767945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).