2-[4-[8-(4-naphthalen-2-ylphenyl)dibenzothiophen-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine

C53H33N3S — CID 171596917

IUPAC2-[4-[8-(4-naphthalen-2-ylphenyl)dibenzothiophen-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)sc4ccc(-c6ccc(-c7ccc8ccccc8c7)cc6)cc45)c4ccccc34)n2)cc1
InChIInChI=1S/C53H33N3S/c1-3-12-37(13-4-1)51-54-52(38-14-5-2-6-15-38)56-53(55-51)47-29-28-43(44-17-9-10-18-45(44)47)42-25-27-46-48-32-41(26-30-49(48)57-50(46)33-42)36-21-19-35(20-22-36)40-24-23-34-11-7-8-16-39(34)31-40/h1-33H
InChIKeyNEBMTQIWOPTHBG-UHFFFAOYSA-N
MW743.94 g/mol
LogP14.55
Rot. Bonds6

About 2-[4-[8-(4-naphthalen-2-ylphenyl)dibenzothiophen-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine

2-[4-[8-(4-naphthalen-2-ylphenyl)dibenzothiophen-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 171596917) has the molecular formula C53H33N3S and a molecular weight of 743.94 g/mol. Its IUPAC name is 2-[4-[8-(4-naphthalen-2-ylphenyl)dibenzothiophen-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[8-(4-naphthalen-2-ylphenyl)dibenzothiophen-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID171596917
Molecular FormulaC53H33N3S
Molecular Weight743.94 g/mol
Exact Mass743.24
IUPAC Name2-[4-[8-(4-naphthalen-2-ylphenyl)dibenzothiophen-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)sc4ccc(-c6ccc(-c7ccc8ccccc8c7)cc6)cc45)c4ccccc34)n2)cc1
InChIInChI=1S/C53H33N3S/c1-3-12-37(13-4-1)51-54-52(38-14-5-2-6-15-38)56-53(55-51)47-29-28-43(44-17-9-10-18-45(44)47)42-25-27-46-48-32-41(26-30-49(48)57-50(46)33-42)36-21-19-35(20-22-36)40-24-23-34-11-7-8-16-39(34)31-40/h1-33H
InChIKeyNEBMTQIWOPTHBG-UHFFFAOYSA-N
XLogP14.55
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.94
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-dibenzothiophen-3-ylphenyl)-4-(5-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172509468
2-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545497
2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402474
2-dibenzothiophen-3-yl-4-[3-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 168845077
2-(4-dibenzothiophen-3-ylnaphthalen-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(4-dibenzothiophen-3-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(5-dibenzothiophen-2-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 165010752
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-(7-dibenzothiophen-2-yldibenzothiophen-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377206
2-dibenzothiophen-3-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 156673310
2-dibenzothiophen-2-yl-4-phenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 171597129
2,4-diphenyl-6-[8-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 166952615
2-dibenzothiophen-3-yl-4-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazine
CID 162504462
2-[8-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192267

Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-(4-naphthalen-2-ylphenyl)dibenzothiophen-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[8-(4-naphthalen-2-ylphenyl)dibenzothiophen-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 171596917) is 2-[4-[8-(4-naphthalen-2-ylphenyl)dibenzothiophen-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[8-(4-naphthalen-2-ylphenyl)dibenzothiophen-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[8-(4-naphthalen-2-ylphenyl)dibenzothiophen-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)sc4ccc(-c6ccc(-c7ccc8ccccc8c7)cc6)cc45)c4ccccc34)n2)cc1.
What is the InChIKey of 2-[4-[8-(4-naphthalen-2-ylphenyl)dibenzothiophen-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is NEBMTQIWOPTHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3S/c1-3-12-37(13-4-1)51-54-52(38-14-5-2-6-15-38)56-53(55-51)47-29-28-43(44-17-9-10-18-45(44)47)42-25-27-46-48-32-41(26-30-49(48)57-50(46)33-42)36-21-19-35(20-22-36)40-24-23-34-11-7-8-16-39(34)31-40/h1-33H.
What are the key properties of 2-[4-[8-(4-naphthalen-2-ylphenyl)dibenzothiophen-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[8-(4-naphthalen-2-ylphenyl)dibenzothiophen-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 743.94 g/mol, XLogP of 14.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-(4-naphthalen-2-ylphenyl)dibenzothiophen-3-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 171596917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).