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

C31H20ClN3 — CID 169039928

IUPAC2-chloro-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2c(-c3ccccc3)ccc3ccccc23)n1
InChIInChI=1S/C31H20ClN3/c32-31-34-29(25-16-9-15-24(20-25)21-10-3-1-4-11-21)33-30(35-31)28-26-17-8-7-14-23(26)18-19-27(28)22-12-5-2-6-13-22/h1-20H
InChIKeyPRRRCBZBRLJYQA-UHFFFAOYSA-N
MW469.98 g/mol
LogP8.35
Rot. Bonds4

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

2-chloro-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 169039928) has the molecular formula C31H20ClN3 and a molecular weight of 469.98 g/mol. Its IUPAC name is 2-chloro-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID169039928
Molecular FormulaC31H20ClN3
Molecular Weight469.98 g/mol
Exact Mass469.13
IUPAC Name2-chloro-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2c(-c3ccccc3)ccc3ccccc23)n1
InChIInChI=1S/C31H20ClN3/c32-31-34-29(25-16-9-15-24(20-25)21-10-3-1-4-11-21)33-30(35-31)28-26-17-8-7-14-23(26)18-19-27(28)22-12-5-2-6-13-22/h1-20H
InChIKeyPRRRCBZBRLJYQA-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-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 171588817
2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 176632194
2-naphthalen-2-yl-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165027661
2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 177278821
2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277591
2-[3-[6-(3-methylnaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169040053
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166022200
2-[2-[4-(3-isocyanophenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 158503468
2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 169039948
2-chloro-4-(4-phenylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302466
2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177076801
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166022207

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 169039928) is 2-chloro-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine is Clc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2c(-c3ccccc3)ccc3ccccc23)n1.
What is the InChIKey of 2-chloro-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is PRRRCBZBRLJYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20ClN3/c32-31-34-29(25-16-9-15-24(20-25)21-10-3-1-4-11-21)33-30(35-31)28-26-17-8-7-14-23(26)18-19-27(28)22-12-5-2-6-13-22/h1-20H.
What are the key properties of 2-chloro-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
2-chloro-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-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-chloro-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 169039928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).