2-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine

C43H27N3S — CID 172545497

IUPAC2-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3ccccc3-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C43H27N3S/c1-2-11-30(12-3-1)41-44-42(31-21-18-29(19-22-31)33-23-20-28-10-4-5-13-32(28)26-33)46-43(45-41)37-16-7-6-14-35(37)34-24-25-40-38(27-34)36-15-8-9-17-39(36)47-40/h1-27H
InChIKeyGLABNXAXSUBKOB-UHFFFAOYSA-N
MW617.78 g/mol
LogP11.73
Rot. Bonds5

About 2-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine

2-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 172545497) has the molecular formula C43H27N3S and a molecular weight of 617.78 g/mol. Its IUPAC name is 2-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID172545497
Molecular FormulaC43H27N3S
Molecular Weight617.78 g/mol
Exact Mass617.19
IUPAC Name2-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3ccccc3-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C43H27N3S/c1-2-11-30(12-3-1)41-44-42(31-21-18-29(19-22-31)33-23-20-28-10-4-5-13-32(28)26-33)46-43(45-41)37-16-7-6-14-35(37)34-24-25-40-38(27-34)36-15-8-9-17-39(36)47-40/h1-27H
InChIKeyGLABNXAXSUBKOB-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-[4-[8-(4-naphthalen-2-ylphenyl)dibenzothiophen-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 171596917
2-(4-dibenzothiophen-3-ylphenyl)-4-(5-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172509468
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171585034
2-dibenzothiophen-4-yl-4-(7-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168744219
2-[8-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192267
4-(3-dibenzothiophen-2-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 171583317
2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402474
2-dibenzothiophen-1-yl-4-(7-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588371
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
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 171585223
2-(8-dibenzothiophen-2-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 147229387
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 139441659

Frequently Asked Questions

What is the IUPAC name of 2-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine (CID 172545497) is 2-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3ccccc3-c3ccc4sc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 2-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is GLABNXAXSUBKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3S/c1-2-11-30(12-3-1)41-44-42(31-21-18-29(19-22-31)33-23-20-28-10-4-5-13-32(28)26-33)46-43(45-41)37-16-7-6-14-35(37)34-24-25-40-38(27-34)36-15-8-9-17-39(36)47-40/h1-27H.
What are the key properties of 2-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine?
2-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-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-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 172545497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).