3-[1-(1-benzothiophen-3-yl)-2,2-diphenylethenyl]-1-benzothiophene

C30H20S2 — CID 177256716

IUPAC3-[1-(1-benzothiophen-3-yl)-2,2-diphenylethenyl]-1-benzothiophene
SMILESc1ccc(C(=C(c2csc3ccccc23)c2csc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C30H20S2/c1-3-11-21(12-4-1)29(22-13-5-2-6-14-22)30(25-19-31-27-17-9-7-15-23(25)27)26-20-32-28-18-10-8-16-24(26)28/h1-20H
InChIKeyWGSBGWVARLOPAD-UHFFFAOYSA-N
MW444.62 g/mol
LogP9.12
Rot. Bonds4

About 3-[1-(1-benzothiophen-3-yl)-2,2-diphenylethenyl]-1-benzothiophene

3-[1-(1-benzothiophen-3-yl)-2,2-diphenylethenyl]-1-benzothiophene (PubChem CID 177256716) has the molecular formula C30H20S2 and a molecular weight of 444.62 g/mol. Its IUPAC name is 3-[1-(1-benzothiophen-3-yl)-2,2-diphenylethenyl]-1-benzothiophene.

Molecular Properties

Compound Name3-[1-(1-benzothiophen-3-yl)-2,2-diphenylethenyl]-1-benzothiophene
PubChem CID177256716
Molecular FormulaC30H20S2
Molecular Weight444.62 g/mol
Exact Mass444.10
IUPAC Name3-[1-(1-benzothiophen-3-yl)-2,2-diphenylethenyl]-1-benzothiophene
SMILESc1ccc(C(=C(c2csc3ccccc23)c2csc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C30H20S2/c1-3-11-21(12-4-1)29(22-13-5-2-6-14-22)30(25-19-31-27-17-9-7-15-23(25)27)26-20-32-28-18-10-8-16-24(26)28/h1-20H
InChIKeyWGSBGWVARLOPAD-UHFFFAOYSA-N
XLogP9.12
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 ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

S-methyl 1-benzothiophene-3-carbothioate
CID 119090486
4-(1-benzothiophen-3-yl)-2,4-dioxobutanoic acid
CID 510857
1-(1-benzothiophen-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 6481408
1-benzothiophen-3-yl-(3,5-dibromophenyl)methanone
CID 114023487
2-[1-benzothiophene-3-carbonyl(carboxymethyl)amino]acetic acid
CID 63650829
2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one
CID 23618738
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
1-(1-benzothiophen-3-yl)-5-bromopentan-1-one
CID 146011096
1-benzothiophen-3-yl-(2-bromophenyl)methanone
CID 43161888
1-benzothiophene-3-carboximidamide;hydrate;hydrochloride
CID 2776350
ethyl 1-benzothiophene-3-carboxylate
CID 898679
(2S)-3-(1-benzothiophen-3-yl)-3-oxo-2-phenylpropanenitrile
CID 129366437

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-benzothiophen-3-yl)-2,2-diphenylethenyl]-1-benzothiophene?
The IUPAC name of 3-[1-(1-benzothiophen-3-yl)-2,2-diphenylethenyl]-1-benzothiophene (CID 177256716) is 3-[1-(1-benzothiophen-3-yl)-2,2-diphenylethenyl]-1-benzothiophene.
What is the SMILES notation for 3-[1-(1-benzothiophen-3-yl)-2,2-diphenylethenyl]-1-benzothiophene?
The canonical SMILES for 3-[1-(1-benzothiophen-3-yl)-2,2-diphenylethenyl]-1-benzothiophene is c1ccc(C(=C(c2csc3ccccc23)c2csc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of 3-[1-(1-benzothiophen-3-yl)-2,2-diphenylethenyl]-1-benzothiophene?
The InChIKey is WGSBGWVARLOPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20S2/c1-3-11-21(12-4-1)29(22-13-5-2-6-14-22)30(25-19-31-27-17-9-7-15-23(25)27)26-20-32-28-18-10-8-16-24(26)28/h1-20H.
What are the key properties of 3-[1-(1-benzothiophen-3-yl)-2,2-diphenylethenyl]-1-benzothiophene?
3-[1-(1-benzothiophen-3-yl)-2,2-diphenylethenyl]-1-benzothiophene has a molecular weight of 444.62 g/mol, XLogP of 9.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-benzothiophen-3-yl)-2,2-diphenylethenyl]-1-benzothiophene is sourced from PubChem (CID 177256716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).