2,8-bis(2-phenylphenyl)dibenzothiophene

C36H24S — CID 58971386

IUPAC2,8-bis(2-phenylphenyl)dibenzothiophene
SMILESc1ccc(-c2ccccc2-c2ccc3sc4ccc(-c5ccccc5-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C36H24S/c1-3-11-25(12-4-1)29-15-7-9-17-31(29)27-19-21-35-33(23-27)34-24-28(20-22-36(34)37-35)32-18-10-8-16-30(32)26-13-5-2-6-14-26/h1-24H
InChIKeyFDBVYFKAPDUYBI-UHFFFAOYSA-N
MW488.66 g/mol
LogP10.72
Rot. Bonds4

About 2,8-bis(2-phenylphenyl)dibenzothiophene

2,8-bis(2-phenylphenyl)dibenzothiophene (PubChem CID 58971386) has the molecular formula C36H24S and a molecular weight of 488.66 g/mol. Its IUPAC name is 2,8-bis(2-phenylphenyl)dibenzothiophene.

Molecular Properties

Compound Name2,8-bis(2-phenylphenyl)dibenzothiophene
PubChem CID58971386
Molecular FormulaC36H24S
Molecular Weight488.66 g/mol
Exact Mass488.16
IUPAC Name2,8-bis(2-phenylphenyl)dibenzothiophene
SMILESc1ccc(-c2ccccc2-c2ccc3sc4ccc(-c5ccccc5-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C36H24S/c1-3-11-25(12-4-1)29-15-7-9-17-31(29)27-19-21-35-33(23-27)34-24-28(20-22-36(34)37-35)32-18-10-8-16-30(32)26-13-5-2-6-14-26/h1-24H
InChIKeyFDBVYFKAPDUYBI-UHFFFAOYSA-N
XLogP10.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.66
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene
CID 144568506
4-dibenzothiophen-2-yl-6-[3-dibenzothiophen-2-yl-5-(2-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171582700
2-[8-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192267
2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946773
2-(6-phenylpyren-1-yl)-8-pyren-1-yldibenzothiophene
CID 59758450
2,7-bis(2,6-diphenylphenyl)thioxanthen-9-one
CID 69281110
9-[2-[3,6-bis(2-phenylphenyl)carbazol-9-yl]dibenzothiophen-3-yl]-3,6-bis(2-phenylphenyl)carbazole
CID 166010937
2,4-diphenyl-6-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 159903091
4-dibenzothiophen-2-yl-2-methyl-6-(2-phenylphenyl)pyrimidine
CID 147486733
2,5-di(dibenzothiophen-2-yl)benzene-1,4-diol
CID 169075776
2-phenanthren-9-yl-8-(10-phenylanthracen-9-yl)dibenzothiophene
CID 162423752
4-dibenzothiophen-2-yl-6-methyl-2-(2-phenylphenyl)pyrimidine
CID 153287998

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(2-phenylphenyl)dibenzothiophene?
The IUPAC name of 2,8-bis(2-phenylphenyl)dibenzothiophene (CID 58971386) is 2,8-bis(2-phenylphenyl)dibenzothiophene.
What is the SMILES notation for 2,8-bis(2-phenylphenyl)dibenzothiophene?
The canonical SMILES for 2,8-bis(2-phenylphenyl)dibenzothiophene is c1ccc(-c2ccccc2-c2ccc3sc4ccc(-c5ccccc5-c5ccccc5)cc4c3c2)cc1.
What is the InChIKey of 2,8-bis(2-phenylphenyl)dibenzothiophene?
The InChIKey is FDBVYFKAPDUYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24S/c1-3-11-25(12-4-1)29-15-7-9-17-31(29)27-19-21-35-33(23-27)34-24-28(20-22-36(34)37-35)32-18-10-8-16-30(32)26-13-5-2-6-14-26/h1-24H.
What are the key properties of 2,8-bis(2-phenylphenyl)dibenzothiophene?
2,8-bis(2-phenylphenyl)dibenzothiophene has a molecular weight of 488.66 g/mol, XLogP of 10.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(2-phenylphenyl)dibenzothiophene is sourced from PubChem (CID 58971386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).