2-(4-chloronaphthalen-1-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine

C31H18ClN3S — CID 163715789

IUPAC2-(4-chloronaphthalen-1-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3ccccc34)n2)c2ccccc12
InChIInChI=1S/C31H18ClN3S/c32-26-17-16-25(21-10-4-5-11-22(21)26)31-34-29(19-8-2-1-3-9-19)33-30(35-31)20-14-15-24-23-12-6-7-13-27(23)36-28(24)18-20/h1-18H
InChIKeyRHPKAZCDOCTNEL-UHFFFAOYSA-N
MW500.03 g/mol
LogP9.05
Rot. Bonds3

About 2-(4-chloronaphthalen-1-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine

2-(4-chloronaphthalen-1-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine (PubChem CID 163715789) has the molecular formula C31H18ClN3S and a molecular weight of 500.03 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
PubChem CID163715789
Molecular FormulaC31H18ClN3S
Molecular Weight500.03 g/mol
Exact Mass499.09
IUPAC Name2-(4-chloronaphthalen-1-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3ccccc34)n2)c2ccccc12
InChIInChI=1S/C31H18ClN3S/c32-26-17-16-25(21-10-4-5-11-22(21)26)31-34-29(19-8-2-1-3-9-19)33-30(35-31)20-14-15-24-23-12-6-7-13-27(23)36-28(24)18-20/h1-18H
InChIKeyRHPKAZCDOCTNEL-UHFFFAOYSA-N
XLogP9.05
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.03
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192093
2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146648181
2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251324
2-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 172509591
2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402474
2-dibenzothiophen-2-yl-4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050112
2-dibenzothiophen-3-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 138654698
2-[4-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942425
2-[8-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192267
2-dibenzothiophen-3-yl-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 138659637
2-(4-dibenzothiophen-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850210
2-(3-dibenzothiophen-3-ylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942654

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloronaphthalen-1-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine (CID 163715789) is 2-(4-chloronaphthalen-1-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine is Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3ccccc34)n2)c2ccccc12.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine?
The InChIKey is RHPKAZCDOCTNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18ClN3S/c32-26-17-16-25(21-10-4-5-11-22(21)26)31-34-29(19-8-2-1-3-9-19)33-30(35-31)20-14-15-24-23-12-6-7-13-27(23)36-28(24)18-20/h1-18H.
What are the key properties of 2-(4-chloronaphthalen-1-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine?
2-(4-chloronaphthalen-1-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine has a molecular weight of 500.03 g/mol, XLogP of 9.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 163715789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).