2-(4-chloro-3-phenylphenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine

C31H20ClN3 — CID 155450567

IUPAC2-(4-chloro-3-phenylphenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4ccccc34)n2)cc1-c1ccccc1
InChIInChI=1S/C31H20ClN3/c32-28-19-18-24(20-27(28)22-10-3-1-4-11-22)30-33-29(23-13-5-2-6-14-23)34-31(35-30)26-17-9-15-21-12-7-8-16-25(21)26/h1-20H
InChIKeyLQSWNTDXFUEIOP-UHFFFAOYSA-N
MW469.98 g/mol
LogP8.35
Rot. Bonds4

About 2-(4-chloro-3-phenylphenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine

2-(4-chloro-3-phenylphenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (PubChem CID 155450567) has the molecular formula C31H20ClN3 and a molecular weight of 469.98 g/mol. Its IUPAC name is 2-(4-chloro-3-phenylphenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chloro-3-phenylphenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
PubChem CID155450567
Molecular FormulaC31H20ClN3
Molecular Weight469.98 g/mol
Exact Mass469.13
IUPAC Name2-(4-chloro-3-phenylphenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4ccccc34)n2)cc1-c1ccccc1
InChIInChI=1S/C31H20ClN3/c32-28-19-18-24(20-27(28)22-10-3-1-4-11-22)30-33-29(23-13-5-2-6-14-23)34-31(35-30)26-17-9-15-21-12-7-8-16-25(21)26/h1-20H
InChIKeyLQSWNTDXFUEIOP-UHFFFAOYSA-N
XLogP8.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.98
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171854007
2-[3-naphthalen-1-yl-4-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146187509
2-(2,5-diphenylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297414
2-[3-(2,4-diphenylphenyl)phenyl]-4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 169297185
2-naphthalen-1-yl-4-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244397
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588622

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-phenylphenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-chloro-3-phenylphenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (CID 155450567) is 2-(4-chloro-3-phenylphenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-chloro-3-phenylphenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-chloro-3-phenylphenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is Clc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4ccccc34)n2)cc1-c1ccccc1.
What is the InChIKey of 2-(4-chloro-3-phenylphenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The InChIKey is LQSWNTDXFUEIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20ClN3/c32-28-19-18-24(20-27(28)22-10-3-1-4-11-22)30-33-29(23-13-5-2-6-14-23)34-31(35-30)26-17-9-15-21-12-7-8-16-25(21)26/h1-20H.
What are the key properties of 2-(4-chloro-3-phenylphenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
2-(4-chloro-3-phenylphenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine has a molecular weight of 469.98 g/mol, XLogP of 8.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-phenylphenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 155450567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).