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

C31H18ClN3S — CID 177278899

IUPAC2-chloro-4-dibenzothiophen-4-yl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccc3c(-c4ccccc4)cccc3c2)nc(-c2cccc3c2sc2ccccc23)n1
InChIInChI=1S/C31H18ClN3S/c32-31-34-29(21-16-17-23-20(18-21)10-6-12-22(23)19-8-2-1-3-9-19)33-30(35-31)26-14-7-13-25-24-11-4-5-15-27(24)36-28(25)26/h1-18H
InChIKeyPQFQMUWLGWXETK-UHFFFAOYSA-N
MW500.03 g/mol
LogP9.05
Rot. Bonds3

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

2-chloro-4-dibenzothiophen-4-yl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine (PubChem CID 177278899) has the molecular formula C31H18ClN3S and a molecular weight of 500.03 g/mol. Its IUPAC name is 2-chloro-4-dibenzothiophen-4-yl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-dibenzothiophen-4-yl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine
PubChem CID177278899
Molecular FormulaC31H18ClN3S
Molecular Weight500.03 g/mol
Exact Mass499.09
IUPAC Name2-chloro-4-dibenzothiophen-4-yl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccc3c(-c4ccccc4)cccc3c2)nc(-c2cccc3c2sc2ccccc23)n1
InChIInChI=1S/C31H18ClN3S/c32-31-34-29(21-16-17-23-20(18-21)10-6-12-22(23)19-8-2-1-3-9-19)33-30(35-31)26-14-7-13-25-24-11-4-5-15-27(24)36-28(25)26/h1-18H
InChIKeyPQFQMUWLGWXETK-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-dibenzothiophen-4-yl-4-(6-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 176587486
2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 118539812
2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 156828340
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 146669978
2-[4-[3-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942463
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 139442167
2-dibenzothiophen-4-yl-4-[4-[4-[4-[3-[4-dibenzothiophen-4-yl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 139442123
2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139441909
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 147261190
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
CID 155481250
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 155480695
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[7-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 139442042

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzothiophen-4-yl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-dibenzothiophen-4-yl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine (CID 177278899) is 2-chloro-4-dibenzothiophen-4-yl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-dibenzothiophen-4-yl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-dibenzothiophen-4-yl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine is Clc1nc(-c2ccc3c(-c4ccccc4)cccc3c2)nc(-c2cccc3c2sc2ccccc23)n1.
What is the InChIKey of 2-chloro-4-dibenzothiophen-4-yl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is PQFQMUWLGWXETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18ClN3S/c32-31-34-29(21-16-17-23-20(18-21)10-6-12-22(23)19-8-2-1-3-9-19)33-30(35-31)26-14-7-13-25-24-11-4-5-15-27(24)36-28(25)26/h1-18H.
What are the key properties of 2-chloro-4-dibenzothiophen-4-yl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine?
2-chloro-4-dibenzothiophen-4-yl-6-(5-phenylnaphthalen-2-yl)-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-chloro-4-dibenzothiophen-4-yl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 177278899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).