2,8-bis(3-naphthalen-2-yl-5-phenylphenyl)dibenzothiophene

C56H36S — CID 58971382

IUPAC2,8-bis(3-naphthalen-2-yl-5-phenylphenyl)dibenzothiophene
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3ccc4sc5ccc(-c6cc(-c7ccccc7)cc(-c7ccc8ccccc8c7)c6)cc5c4c3)c2)cc1
InChIInChI=1S/C56H36S/c1-3-11-37(12-4-1)47-29-49(43-21-19-39-15-7-9-17-41(39)27-43)33-51(31-47)45-23-25-55-53(35-45)54-36-46(24-26-56(54)57-55)52-32-48(38-13-5-2-6-14-38)30-50(34-52)44-22-20-40-16-8-10-18-42(40)28-44/h1-36H
InChIKeyGLJPSCAGASUNLV-UHFFFAOYSA-N
MW740.97 g/mol
LogP16.36
Rot. Bonds6

About 2,8-bis(3-naphthalen-2-yl-5-phenylphenyl)dibenzothiophene

2,8-bis(3-naphthalen-2-yl-5-phenylphenyl)dibenzothiophene (PubChem CID 58971382) has the molecular formula C56H36S and a molecular weight of 740.97 g/mol. Its IUPAC name is 2,8-bis(3-naphthalen-2-yl-5-phenylphenyl)dibenzothiophene.

Molecular Properties

Compound Name2,8-bis(3-naphthalen-2-yl-5-phenylphenyl)dibenzothiophene
PubChem CID58971382
Molecular FormulaC56H36S
Molecular Weight740.97 g/mol
Exact Mass740.25
IUPAC Name2,8-bis(3-naphthalen-2-yl-5-phenylphenyl)dibenzothiophene
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3ccc4sc5ccc(-c6cc(-c7ccccc7)cc(-c7ccc8ccccc8c7)c6)cc5c4c3)c2)cc1
InChIInChI=1S/C56H36S/c1-3-11-37(12-4-1)47-29-49(43-21-19-39-15-7-9-17-41(39)27-43)33-51(31-47)45-23-25-55-53(35-45)54-36-46(24-26-56(54)57-55)52-32-48(38-13-5-2-6-14-38)30-50(34-52)44-22-20-40-16-8-10-18-42(40)28-44/h1-36H
InChIKeyGLJPSCAGASUNLV-UHFFFAOYSA-N
XLogP16.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.97
LogP ≤ 516.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,8-dinaphthalen-2-yldibenzothiophene
CID 58971417
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 171585223
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171585034
4-(3-dibenzothiophen-2-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 171583317
3-N-[3-naphthalen-2-yl-5-(N-phenylanilino)phenyl]-1-N,1-N,5-triphenyl-3-N-(8-phenyldibenzothiophen-2-yl)benzene-1,3-diamine
CID 134198236
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-2-amine
CID 166565819
N-(3,5-diphenylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-2-amine
CID 166566179
2-naphthalen-2-yl-6-(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 143886275
2-(2-dibenzothiophen-2-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545497
9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 59557528
2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene
CID 144568506
2-(3-dibenzothiophen-2-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118650929

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(3-naphthalen-2-yl-5-phenylphenyl)dibenzothiophene?
The IUPAC name of 2,8-bis(3-naphthalen-2-yl-5-phenylphenyl)dibenzothiophene (CID 58971382) is 2,8-bis(3-naphthalen-2-yl-5-phenylphenyl)dibenzothiophene.
What is the SMILES notation for 2,8-bis(3-naphthalen-2-yl-5-phenylphenyl)dibenzothiophene?
The canonical SMILES for 2,8-bis(3-naphthalen-2-yl-5-phenylphenyl)dibenzothiophene is c1ccc(-c2cc(-c3ccc4ccccc4c3)cc(-c3ccc4sc5ccc(-c6cc(-c7ccccc7)cc(-c7ccc8ccccc8c7)c6)cc5c4c3)c2)cc1.
What is the InChIKey of 2,8-bis(3-naphthalen-2-yl-5-phenylphenyl)dibenzothiophene?
The InChIKey is GLJPSCAGASUNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36S/c1-3-11-37(12-4-1)47-29-49(43-21-19-39-15-7-9-17-41(39)27-43)33-51(31-47)45-23-25-55-53(35-45)54-36-46(24-26-56(54)57-55)52-32-48(38-13-5-2-6-14-38)30-50(34-52)44-22-20-40-16-8-10-18-42(40)28-44/h1-36H.
What are the key properties of 2,8-bis(3-naphthalen-2-yl-5-phenylphenyl)dibenzothiophene?
2,8-bis(3-naphthalen-2-yl-5-phenylphenyl)dibenzothiophene has a molecular weight of 740.97 g/mol, XLogP of 16.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(3-naphthalen-2-yl-5-phenylphenyl)dibenzothiophene is sourced from PubChem (CID 58971382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).