2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine

C53H31N3OS — CID 166742327

IUPAC2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6c(c5)sc5ccccc56)n4)c4c(c3)oc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C53H31N3OS/c1-2-13-33(14-3-1)38-26-27-39(41-17-7-6-16-40(38)41)37-29-45(50-44-19-8-10-20-46(44)57-47(50)30-37)53-55-51(35-23-22-32-12-4-5-15-34(32)28-35)54-52(56-53)36-24-25-43-42-18-9-11-21-48(42)58-49(43)31-36/h1-31H
InChIKeyNHXPJKXTQPTXSR-UHFFFAOYSA-N
MW757.92 g/mol
LogP14.78
Rot. Bonds5

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

2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 166742327) has the molecular formula C53H31N3OS and a molecular weight of 757.92 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID166742327
Molecular FormulaC53H31N3OS
Molecular Weight757.92 g/mol
Exact Mass757.22
IUPAC Name2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6c(c5)sc5ccccc56)n4)c4c(c3)oc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C53H31N3OS/c1-2-13-33(14-3-1)38-26-27-39(41-17-7-6-16-40(38)41)37-29-45(50-44-19-8-10-20-46(44)57-47(50)30-37)53-55-51(35-23-22-32-12-4-5-15-34(32)28-35)54-52(56-53)36-24-25-43-42-18-9-11-21-48(42)58-49(43)31-36/h1-31H
InChIKeyNHXPJKXTQPTXSR-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-dibenzothiophen-1-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741653
2-phenyl-4-[7-(1-phenyldibenzofuran-3-yl)dibenzothiophen-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378539
2-dibenzothiophen-2-yl-4-(7-dibenzothiophen-3-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166743055
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170301891
2,4-diphenyl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742275
2-dibenzothiophen-2-yl-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170301810
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259797
2-dibenzofuran-3-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742821
2-(3-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742618
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259678
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743486
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742796

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine (CID 166742327) is 2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6c(c5)sc5ccccc56)n4)c4c(c3)oc3ccccc34)c3ccccc23)cc1.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is NHXPJKXTQPTXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N3OS/c1-2-13-33(14-3-1)38-26-27-39(41-17-7-6-16-40(38)41)37-29-45(50-44-19-8-10-20-46(44)57-47(50)30-37)53-55-51(35-23-22-32-12-4-5-15-34(32)28-35)54-52(56-53)36-24-25-43-42-18-9-11-21-48(42)58-49(43)31-36/h1-31H.
What are the key properties of 2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-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-dibenzothiophen-3-yl-4-naphthalen-2-yl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 166742327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).