4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene

C36H22S2 — CID 118439378

IUPAC4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
SMILESc1cc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C36H22S2/c1-3-16-33-29(10-1)31-14-6-12-27(35(31)37-33)24-20-18-23(19-21-24)25-8-5-9-26(22-25)28-13-7-15-32-30-11-2-4-17-34(30)38-36(28)32/h1-22H
InChIKeyHGNILWGMVIUSPT-UHFFFAOYSA-N
MW518.71 g/mol
LogP11.42
Rot. Bonds3

About 4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene

4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene (PubChem CID 118439378) has the molecular formula C36H22S2 and a molecular weight of 518.71 g/mol. Its IUPAC name is 4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene.

Molecular Properties

Compound Name4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
PubChem CID118439378
Molecular FormulaC36H22S2
Molecular Weight518.71 g/mol
Exact Mass518.12
IUPAC Name4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
SMILESc1cc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C36H22S2/c1-3-16-33-29(10-1)31-14-6-12-27(35(31)37-33)24-20-18-23(19-21-24)25-8-5-9-26(22-25)28-13-7-15-32-30-11-2-4-17-34(30)38-36(28)32/h1-22H
InChIKeyHGNILWGMVIUSPT-UHFFFAOYSA-N
XLogP11.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.71
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
4-(3-biphenylen-2-ylphenyl)dibenzothiophene
CID 172750240
4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene
CID 157203788
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 121261293
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425247
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
4-[3-[9,10-diphenyl-6-(3-phenylphenyl)anthracen-2-yl]phenyl]dibenzothiophene
CID 58261884
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425260

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene?
The IUPAC name of 4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene (CID 118439378) is 4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene.
What is the SMILES notation for 4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene?
The canonical SMILES for 4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene is c1cc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene?
The InChIKey is HGNILWGMVIUSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22S2/c1-3-16-33-29(10-1)31-14-6-12-27(35(31)37-33)24-20-18-23(19-21-24)25-8-5-9-26(22-25)28-13-7-15-32-30-11-2-4-17-34(30)38-36(28)32/h1-22H.
What are the key properties of 4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene?
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene has a molecular weight of 518.71 g/mol, XLogP of 11.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene is sourced from PubChem (CID 118439378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).