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

C53H31N3OS — CID 176632674

IUPAC2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c4)nc(-c4cccc5c4sc4ccccc45)n3)c3ccccc23)cc1
InChIInChI=1S/C53H31N3OS/c1-2-11-32(12-3-1)38-26-27-44(40-14-5-4-13-39(38)40)52-54-51(55-53(56-52)45-18-10-17-43-42-16-7-9-20-49(42)58-50(43)45)37-24-23-33-29-34(21-22-35(33)30-37)36-25-28-48-46(31-36)41-15-6-8-19-47(41)57-48/h1-31H
InChIKeyKBBVQKIYIVHJJQ-UHFFFAOYSA-N
MW757.92 g/mol
LogP14.78
Rot. Bonds5

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

2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 176632674) has the molecular formula C53H31N3OS and a molecular weight of 757.92 g/mol. Its IUPAC name is 2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID176632674
Molecular FormulaC53H31N3OS
Molecular Weight757.92 g/mol
Exact Mass757.22
IUPAC Name2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c4)nc(-c4cccc5c4sc4ccccc45)n3)c3ccccc23)cc1
InChIInChI=1S/C53H31N3OS/c1-2-11-32(12-3-1)38-26-27-44(40-14-5-4-13-39(38)40)52-54-51(55-53(56-52)45-18-10-17-43-42-16-7-9-20-49(42)58-50(43)45)37-24-23-33-29-34(21-22-35(33)30-37)36-25-28-48-46(31-36)41-15-6-8-19-47(41)57-48/h1-31H
InChIKeyKBBVQKIYIVHJJQ-UHFFFAOYSA-N
XLogP14.78
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.92
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-dibenzofuran-3-yldibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 162780089
2-dibenzothiophen-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952521
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-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 167346712
2-(4-dibenzothiophen-4-ylphenyl)-4-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 139549050
2-dibenzothiophen-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407726
2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 148788297
2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 176632723
2-dibenzothiophen-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952877
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163842372
2-dibenzofuran-2-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazine
CID 155050287
2-dibenzothiophen-4-yl-4-(4-naphtho[2,3-b][1]benzofuran-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 176786080

Frequently Asked Questions

What is the IUPAC name of 2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine (CID 176632674) is 2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c4)nc(-c4cccc5c4sc4ccccc45)n3)c3ccccc23)cc1.
What is the InChIKey of 2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is KBBVQKIYIVHJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N3OS/c1-2-11-32(12-3-1)38-26-27-44(40-14-5-4-13-39(38)40)52-54-51(55-53(56-52)45-18-10-17-43-42-16-7-9-20-49(42)58-50(43)45)37-24-23-33-29-34(21-22-35(33)30-37)36-25-28-48-46(31-36)41-15-6-8-19-47(41)57-48/h1-31H.
What are the key properties of 2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 757.92 g/mol, XLogP of 14.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 176632674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).