4-[4-(4-phenylphenyl)phenyl]dibenzothiophene

C30H20S — CID 118398729

IUPAC4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
SMILESc1ccc(-c2ccc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C30H20S/c1-2-7-21(8-3-1)22-13-15-23(16-14-22)24-17-19-25(20-18-24)26-10-6-11-28-27-9-4-5-12-29(27)31-30(26)28/h1-20H
InChIKeyNWMPBXLDGLATGR-UHFFFAOYSA-N
MW412.56 g/mol
LogP9.06
Rot. Bonds3

About 4-[4-(4-phenylphenyl)phenyl]dibenzothiophene

4-[4-(4-phenylphenyl)phenyl]dibenzothiophene (PubChem CID 118398729) has the molecular formula C30H20S and a molecular weight of 412.56 g/mol. Its IUPAC name is 4-[4-(4-phenylphenyl)phenyl]dibenzothiophene.

Molecular Properties

Compound Name4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
PubChem CID118398729
Molecular FormulaC30H20S
Molecular Weight412.56 g/mol
Exact Mass412.13
IUPAC Name4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
SMILESc1ccc(-c2ccc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C30H20S/c1-2-7-21(8-3-1)22-13-15-23(16-14-22)24-17-19-25(20-18-24)26-10-6-11-28-27-9-4-5-12-29(27)31-30(26)28/h1-20H
InChIKeyNWMPBXLDGLATGR-UHFFFAOYSA-N
XLogP9.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.56
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline;4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 158485457
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936
4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59022057
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425247
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
2-(4-dibenzothiophen-4-ylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850283
3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378
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-[4-(4-phenylphenyl)phenyl]dibenzothiophene?
The IUPAC name of 4-[4-(4-phenylphenyl)phenyl]dibenzothiophene (CID 118398729) is 4-[4-(4-phenylphenyl)phenyl]dibenzothiophene.
What is the SMILES notation for 4-[4-(4-phenylphenyl)phenyl]dibenzothiophene?
The canonical SMILES for 4-[4-(4-phenylphenyl)phenyl]dibenzothiophene is c1ccc(-c2ccc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-phenylphenyl)phenyl]dibenzothiophene?
The InChIKey is NWMPBXLDGLATGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20S/c1-2-7-21(8-3-1)22-13-15-23(16-14-22)24-17-19-25(20-18-24)26-10-6-11-28-27-9-4-5-12-29(27)31-30(26)28/h1-20H.
What are the key properties of 4-[4-(4-phenylphenyl)phenyl]dibenzothiophene?
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene has a molecular weight of 412.56 g/mol, XLogP of 9.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-phenylphenyl)phenyl]dibenzothiophene is sourced from PubChem (CID 118398729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).