1-(2,4-diphenylthiophen-3-yl)-3-phenyl-2-benzothiophene

C30H20S2 — CID 156552741

IUPAC1-(2,4-diphenylthiophen-3-yl)-3-phenyl-2-benzothiophene
SMILESc1ccc(-c2csc(-c3ccccc3)c2-c2sc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C30H20S2/c1-4-12-21(13-5-1)26-20-31-29(23-16-8-3-9-17-23)27(26)30-25-19-11-10-18-24(25)28(32-30)22-14-6-2-7-15-22/h1-20H
InChIKeyIMMBQVFQLJHMDE-UHFFFAOYSA-N
MW444.62 g/mol
LogP9.63
Rot. Bonds4

About 1-(2,4-diphenylthiophen-3-yl)-3-phenyl-2-benzothiophene

1-(2,4-diphenylthiophen-3-yl)-3-phenyl-2-benzothiophene (PubChem CID 156552741) has the molecular formula C30H20S2 and a molecular weight of 444.62 g/mol. Its IUPAC name is 1-(2,4-diphenylthiophen-3-yl)-3-phenyl-2-benzothiophene.

Molecular Properties

Compound Name1-(2,4-diphenylthiophen-3-yl)-3-phenyl-2-benzothiophene
PubChem CID156552741
Molecular FormulaC30H20S2
Molecular Weight444.62 g/mol
Exact Mass444.10
IUPAC Name1-(2,4-diphenylthiophen-3-yl)-3-phenyl-2-benzothiophene
SMILESc1ccc(-c2csc(-c3ccccc3)c2-c2sc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C30H20S2/c1-4-12-21(13-5-1)26-20-31-29(23-16-8-3-9-17-23)27(26)30-25-19-11-10-18-24(25)28(32-30)22-14-6-2-7-15-22/h1-20H
InChIKeyIMMBQVFQLJHMDE-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-diphenylthiophen-3-yl)-1-benzothiophene
CID 173096883
1-(2,6-diphenylphenyl)-3-triphenylen-1-yl-2-benzothiophene
CID 156553113
1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene
CID 156552708
4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)pyridine
CID 156553424
1-(4-phenylphenyl)-3-triphenylen-1-yl-2-benzothiophene
CID 156553324
3,4-diphenyl-2-thiophen-2-ylthiophene
CID 90930484
1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene
CID 156553110
1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene
CID 156553641
1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene
CID 156553677
1-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)-3-phenyl-2-benzothiophene
CID 158775804
9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]carbazole
CID 156552774
2-methylsulfanyl-3,4-diphenylthiophene
CID 23254570

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diphenylthiophen-3-yl)-3-phenyl-2-benzothiophene?
The IUPAC name of 1-(2,4-diphenylthiophen-3-yl)-3-phenyl-2-benzothiophene (CID 156552741) is 1-(2,4-diphenylthiophen-3-yl)-3-phenyl-2-benzothiophene.
What is the SMILES notation for 1-(2,4-diphenylthiophen-3-yl)-3-phenyl-2-benzothiophene?
The canonical SMILES for 1-(2,4-diphenylthiophen-3-yl)-3-phenyl-2-benzothiophene is c1ccc(-c2csc(-c3ccccc3)c2-c2sc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-(2,4-diphenylthiophen-3-yl)-3-phenyl-2-benzothiophene?
The InChIKey is IMMBQVFQLJHMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20S2/c1-4-12-21(13-5-1)26-20-31-29(23-16-8-3-9-17-23)27(26)30-25-19-11-10-18-24(25)28(32-30)22-14-6-2-7-15-22/h1-20H.
What are the key properties of 1-(2,4-diphenylthiophen-3-yl)-3-phenyl-2-benzothiophene?
1-(2,4-diphenylthiophen-3-yl)-3-phenyl-2-benzothiophene has a molecular weight of 444.62 g/mol, XLogP of 9.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diphenylthiophen-3-yl)-3-phenyl-2-benzothiophene is sourced from PubChem (CID 156552741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).