1-[3-(3-tert-butyl-5-phenylphenyl)phenyl]dibenzothiophene

C34H28S — CID 170133675

IUPAC1-[3-(3-tert-butyl-5-phenylphenyl)phenyl]dibenzothiophene
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(-c2cccc(-c3cccc4sc5ccccc5c34)c2)c1
InChIInChI=1S/C34H28S/c1-34(2,3)28-21-26(23-11-5-4-6-12-23)20-27(22-28)24-13-9-14-25(19-24)29-16-10-18-32-33(29)30-15-7-8-17-31(30)35-32/h4-22H,1-3H3
InChIKeyUGYCNJDGEWQFFV-UHFFFAOYSA-N
MW468.67 g/mol
LogP10.35
Rot. Bonds3

About 1-[3-(3-tert-butyl-5-phenylphenyl)phenyl]dibenzothiophene

1-[3-(3-tert-butyl-5-phenylphenyl)phenyl]dibenzothiophene (PubChem CID 170133675) has the molecular formula C34H28S and a molecular weight of 468.67 g/mol. Its IUPAC name is 1-[3-(3-tert-butyl-5-phenylphenyl)phenyl]dibenzothiophene.

Molecular Properties

Compound Name1-[3-(3-tert-butyl-5-phenylphenyl)phenyl]dibenzothiophene
PubChem CID170133675
Molecular FormulaC34H28S
Molecular Weight468.67 g/mol
Exact Mass468.19
IUPAC Name1-[3-(3-tert-butyl-5-phenylphenyl)phenyl]dibenzothiophene
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(-c2cccc(-c3cccc4sc5ccccc5c34)c2)c1
InChIInChI=1S/C34H28S/c1-34(2,3)28-21-26(23-11-5-4-6-12-23)20-27(22-28)24-13-9-14-25(19-24)29-16-10-18-32-33(29)30-15-7-8-17-31(30)35-32/h4-22H,1-3H3
InChIKeyUGYCNJDGEWQFFV-UHFFFAOYSA-N
XLogP10.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.67
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-9-(3-phenylphenyl)dibenzothiophene
CID 164821864
1-[3-(2-methylphenyl)phenyl]dibenzothiophene
CID 146397329
1-tert-butyl-6-(3-phenylphenyl)dibenzothiophene
CID 164821799
N-[4-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 121261361
1-(3-chloro-5-phenylphenyl)dibenzothiophene
CID 175911263
2-tert-butyl-4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177113429
1-phenyldibenzothiophene;hydrobromide
CID 174679709
2-(3-dibenzothiophen-1-ylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942551
4-(3-dibenzothiophen-1-ylphenyl)-6-(3-dibenzothiophen-1-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583431
N-(3-dibenzothiophen-1-ylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(4-phenylphenyl)aniline
CID 170296596
1-(4-triphenylen-2-ylphenyl)dibenzothiophene
CID 118231149
1,7-bis[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzothiophene
CID 166706217

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-tert-butyl-5-phenylphenyl)phenyl]dibenzothiophene?
The IUPAC name of 1-[3-(3-tert-butyl-5-phenylphenyl)phenyl]dibenzothiophene (CID 170133675) is 1-[3-(3-tert-butyl-5-phenylphenyl)phenyl]dibenzothiophene.
What is the SMILES notation for 1-[3-(3-tert-butyl-5-phenylphenyl)phenyl]dibenzothiophene?
The canonical SMILES for 1-[3-(3-tert-butyl-5-phenylphenyl)phenyl]dibenzothiophene is CC(C)(C)c1cc(-c2ccccc2)cc(-c2cccc(-c3cccc4sc5ccccc5c34)c2)c1.
What is the InChIKey of 1-[3-(3-tert-butyl-5-phenylphenyl)phenyl]dibenzothiophene?
The InChIKey is UGYCNJDGEWQFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28S/c1-34(2,3)28-21-26(23-11-5-4-6-12-23)20-27(22-28)24-13-9-14-25(19-24)29-16-10-18-32-33(29)30-15-7-8-17-31(30)35-32/h4-22H,1-3H3.
What are the key properties of 1-[3-(3-tert-butyl-5-phenylphenyl)phenyl]dibenzothiophene?
1-[3-(3-tert-butyl-5-phenylphenyl)phenyl]dibenzothiophene has a molecular weight of 468.67 g/mol, XLogP of 10.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-tert-butyl-5-phenylphenyl)phenyl]dibenzothiophene is sourced from PubChem (CID 170133675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).