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

C43H27N3S — CID 139442293

IUPAC2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3c(-c4ccccc4)ccc4ccccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C43H27N3S/c1-3-14-28(15-4-1)31-19-9-10-22-36(31)41-44-42(37-24-13-23-35-34-21-11-12-25-38(34)47-40(35)37)46-43(45-41)39-32-20-8-7-18-30(32)26-27-33(39)29-16-5-2-6-17-29/h1-27H
InChIKeyUXUAPIYBVPFKJW-UHFFFAOYSA-N
MW617.78 g/mol
LogP11.73
Rot. Bonds5

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

2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 139442293) has the molecular formula C43H27N3S and a molecular weight of 617.78 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID139442293
Molecular FormulaC43H27N3S
Molecular Weight617.78 g/mol
Exact Mass617.19
IUPAC Name2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3c(-c4ccccc4)ccc4ccccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C43H27N3S/c1-3-14-28(15-4-1)31-19-9-10-22-36(31)41-44-42(37-24-13-23-35-34-21-11-12-25-38(34)47-40(35)37)46-43(45-41)39-32-20-8-7-18-30(32)26-27-33(39)29-16-5-2-6-17-29/h1-27H
InChIKeyUXUAPIYBVPFKJW-UHFFFAOYSA-N
XLogP11.73
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.78
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzothiophen-4-yl-4,6-bis(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 155480714
2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 155481410
2,4-di(dibenzothiophen-4-yl)-6-[2-(2-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 167349176
2-dibenzothiophen-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 139441619
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]naphthalen-1-yl]-1,3,5-triazine
CID 139442223
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
CID 139442114
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139442322
2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 139441789
2,4-di(dibenzothiophen-4-yl)-6-[5-phenyl-2-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 167349007
2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139441932
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 139441673
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155481014

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine (CID 139442293) is 2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccccc2-c2nc(-c3c(-c4ccccc4)ccc4ccccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is UXUAPIYBVPFKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3S/c1-3-14-28(15-4-1)31-19-9-10-22-36(31)41-44-42(37-24-13-23-35-34-21-11-12-25-38(34)47-40(35)37)46-43(45-41)39-32-20-8-7-18-30(32)26-27-33(39)29-16-5-2-6-17-29/h1-27H.
What are the key properties of 2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 617.78 g/mol, XLogP of 11.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-(2-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 139442293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).