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

C31H20ClN3 — CID 154696620

IUPAC2-[3-(6-chloronaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESClc1ccc2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2c1
InChIInChI=1S/C31H20ClN3/c32-28-17-16-25-18-24(14-15-26(25)20-28)23-12-7-13-27(19-23)31-34-29(21-8-3-1-4-9-21)33-30(35-31)22-10-5-2-6-11-22/h1-20H
InChIKeyVAOJWNMTFGDCDJ-UHFFFAOYSA-N
MW469.98 g/mol
LogP8.35
Rot. Bonds4

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

2-[3-(6-chloronaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 154696620) has the molecular formula C31H20ClN3 and a molecular weight of 469.98 g/mol. Its IUPAC name is 2-[3-(6-chloronaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(6-chloronaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID154696620
Molecular FormulaC31H20ClN3
Molecular Weight469.98 g/mol
Exact Mass469.13
IUPAC Name2-[3-(6-chloronaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESClc1ccc2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2c1
InChIInChI=1S/C31H20ClN3/c32-28-17-16-25-18-24(14-15-26(25)20-28)23-12-7-13-27(19-23)31-34-29(21-8-3-1-4-9-21)33-30(35-31)22-10-5-2-6-11-22/h1-20H
InChIKeyVAOJWNMTFGDCDJ-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-chloronaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(6-chloronaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 154696620) is 2-[3-(6-chloronaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(6-chloronaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(6-chloronaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is Clc1ccc2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2c1.
What is the InChIKey of 2-[3-(6-chloronaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is VAOJWNMTFGDCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20ClN3/c32-28-17-16-25-18-24(14-15-26(25)20-28)23-12-7-13-27(19-23)31-34-29(21-8-3-1-4-9-21)33-30(35-31)22-10-5-2-6-11-22/h1-20H.
What are the key properties of 2-[3-(6-chloronaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(6-chloronaphthalen-2-yl)phenyl]-4,6-diphenyl-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-[3-(6-chloronaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 154696620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).