2-benzyl-3-(2-benzyl-1-benzothiophen-3-yl)-1-benzothiophene

C30H22S2 — CID 23525983

IUPAC2-benzyl-3-(2-benzyl-1-benzothiophen-3-yl)-1-benzothiophene
SMILESc1ccc(Cc2sc3ccccc3c2-c2c(Cc3ccccc3)sc3ccccc23)cc1
InChIInChI=1S/C30H22S2/c1-3-11-21(12-4-1)19-27-29(23-15-7-9-17-25(23)31-27)30-24-16-8-10-18-26(24)32-28(30)20-22-13-5-2-6-14-22/h1-18H,19-20H2
InChIKeyRASOLQHYCFLGBI-UHFFFAOYSA-N
MW446.64 g/mol
LogP8.96
Rot. Bonds5

About 2-benzyl-3-(2-benzyl-1-benzothiophen-3-yl)-1-benzothiophene

2-benzyl-3-(2-benzyl-1-benzothiophen-3-yl)-1-benzothiophene (PubChem CID 23525983) has the molecular formula C30H22S2 and a molecular weight of 446.64 g/mol. Its IUPAC name is 2-benzyl-3-(2-benzyl-1-benzothiophen-3-yl)-1-benzothiophene.

Molecular Properties

Compound Name2-benzyl-3-(2-benzyl-1-benzothiophen-3-yl)-1-benzothiophene
PubChem CID23525983
Molecular FormulaC30H22S2
Molecular Weight446.64 g/mol
Exact Mass446.12
IUPAC Name2-benzyl-3-(2-benzyl-1-benzothiophen-3-yl)-1-benzothiophene
SMILESc1ccc(Cc2sc3ccccc3c2-c2c(Cc3ccccc3)sc3ccccc23)cc1
InChIInChI=1S/C30H22S2/c1-3-11-21(12-4-1)19-27-29(23-15-7-9-17-25(23)31-27)30-24-16-8-10-18-26(24)32-28(30)20-22-13-5-2-6-14-22/h1-18H,19-20H2
InChIKeyRASOLQHYCFLGBI-UHFFFAOYSA-N
XLogP8.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2-benzyl-1-benzothiophen-3-yl)phenyl]-2-(4-methoxyphenyl)phenol
CID 10553388
4-[4-(2-benzyl-1-benzothiophen-3-yl)phenyl]-3-methoxy-6-(4-methoxyphenyl)-2-phenylphenol
CID 90743004
4-[4-(2-benzyl-1-benzothiophen-3-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)phenol
CID 10578755
(2S)-2-[4-[4-(2-benzyl-1-benzothiophen-3-yl)phenyl]-2,6-dibromophenoxy]-4-phenylbutanoic acid
CID 10747376
2-[4-[4-(2-benzyl-1-benzothiophen-3-yl)phenyl]-2-(4-ethoxyphenyl)phenoxy]acetic acid
CID 10555076
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929
4-benzyldibenzothiophen-3-amine
CID 137417434
phenyl(113C)methylbenzene
CID 11194569
4-benzyl-2-iododibenzothiophene
CID 134337707
3-(2-sulfanyl-1-benzothiophen-3-yl)-1-benzothiophene-2-thiol
CID 101439784
dibenzothiophene;methane
CID 162233710
2-[4-[4-(2-benzyl-1-benzothiophen-3-yl)-3-bromophenyl]-2-(3,4-dimethoxyphenyl)phenoxy]acetic acid
CID 70201523

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(2-benzyl-1-benzothiophen-3-yl)-1-benzothiophene?
The IUPAC name of 2-benzyl-3-(2-benzyl-1-benzothiophen-3-yl)-1-benzothiophene (CID 23525983) is 2-benzyl-3-(2-benzyl-1-benzothiophen-3-yl)-1-benzothiophene.
What is the SMILES notation for 2-benzyl-3-(2-benzyl-1-benzothiophen-3-yl)-1-benzothiophene?
The canonical SMILES for 2-benzyl-3-(2-benzyl-1-benzothiophen-3-yl)-1-benzothiophene is c1ccc(Cc2sc3ccccc3c2-c2c(Cc3ccccc3)sc3ccccc23)cc1.
What is the InChIKey of 2-benzyl-3-(2-benzyl-1-benzothiophen-3-yl)-1-benzothiophene?
The InChIKey is RASOLQHYCFLGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22S2/c1-3-11-21(12-4-1)19-27-29(23-15-7-9-17-25(23)31-27)30-24-16-8-10-18-26(24)32-28(30)20-22-13-5-2-6-14-22/h1-18H,19-20H2.
What are the key properties of 2-benzyl-3-(2-benzyl-1-benzothiophen-3-yl)-1-benzothiophene?
2-benzyl-3-(2-benzyl-1-benzothiophen-3-yl)-1-benzothiophene has a molecular weight of 446.64 g/mol, XLogP of 8.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(2-benzyl-1-benzothiophen-3-yl)-1-benzothiophene is sourced from PubChem (CID 23525983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).