2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene

C32H24S — CID 126745943

IUPAC2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene
SMILESCCc1ccc(-c2ccc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C32H24S/c1-2-22-7-9-23(10-8-22)24-11-13-25(14-12-24)26-15-17-27(18-16-26)28-19-20-32-30(21-28)29-5-3-4-6-31(29)33-32/h3-21H,2H2,1H3
InChIKeyLTBLYEDYXRXDII-UHFFFAOYSA-N
MW440.61 g/mol
LogP9.62
Rot. Bonds4

About 2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene

2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene (PubChem CID 126745943) has the molecular formula C32H24S and a molecular weight of 440.61 g/mol. Its IUPAC name is 2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene.

Molecular Properties

Compound Name2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene
PubChem CID126745943
Molecular FormulaC32H24S
Molecular Weight440.61 g/mol
Exact Mass440.16
IUPAC Name2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene
SMILESCCc1ccc(-c2ccc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C32H24S/c1-2-22-7-9-23(10-8-22)24-11-13-25(14-12-24)26-15-17-27(18-16-26)28-19-20-32-30(21-28)29-5-3-4-6-31(29)33-32/h3-21H,2H2,1H3
InChIKeyLTBLYEDYXRXDII-UHFFFAOYSA-N
XLogP9.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.61
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-iodophenyl)dibenzothiophene
CID 118465203
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
2-[4-(3-fluorophenyl)phenyl]dibenzothiophene
CID 170397972
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-triphenylen-2-ylaniline
CID 118214585
7-(4-chlorophenyl)-2-ethyldibenzothiophene
CID 164852807
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-N,N-diphenylaniline
CID 121383193
2-[3-(2,2-dimethylpropyl)phenyl]dibenzothiophene
CID 154989313
2-[4-(1-methylnaphthalen-2-yl)phenyl]dibenzothiophene
CID 135245249
2-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 90295288

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene?
The IUPAC name of 2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene (CID 126745943) is 2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene.
What is the SMILES notation for 2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene?
The canonical SMILES for 2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene is CCc1ccc(-c2ccc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene?
The InChIKey is LTBLYEDYXRXDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24S/c1-2-22-7-9-23(10-8-22)24-11-13-25(14-12-24)26-15-17-27(18-16-26)28-19-20-32-30(21-28)29-5-3-4-6-31(29)33-32/h3-21H,2H2,1H3.
What are the key properties of 2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene?
2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene has a molecular weight of 440.61 g/mol, XLogP of 9.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene is sourced from PubChem (CID 126745943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).