2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene

C24H22S2 — CID 11143270

IUPAC2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene
SMILESCc1sc2ccccc2c1C1=C(c2c(C)sc3ccccc23)CCCC1
InChIInChI=1S/C24H22S2/c1-15-23(19-11-5-7-13-21(19)25-15)17-9-3-4-10-18(17)24-16(2)26-22-14-8-6-12-20(22)24/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyDTQCEVODFVSKJE-UHFFFAOYSA-N
MW374.57 g/mol
LogP8.22
Rot. Bonds2

About 2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene

2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene (PubChem CID 11143270) has the molecular formula C24H22S2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene.

Molecular Properties

Compound Name2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene
PubChem CID11143270
Molecular FormulaC24H22S2
Molecular Weight374.57 g/mol
Exact Mass374.12
IUPAC Name2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene
SMILESCc1sc2ccccc2c1C1=C(c2c(C)sc3ccccc23)CCCC1
InChIInChI=1S/C24H22S2/c1-15-23(19-11-5-7-13-21(19)25-15)17-9-3-4-10-18(17)24-16(2)26-22-14-8-6-12-20(22)24/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyDTQCEVODFVSKJE-UHFFFAOYSA-N
XLogP8.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]indol-1-yl]ethanol
CID 23588707
3-(2-tert-butylcyclopenten-1-yl)-2-methyl-1-benzothiophene;3-(2-tert-butylcyclopenten-1-yl)-2-methyl-5-phenylthiophene
CID 163732404
5-bromo-2,3-bis(2-methyl-1-benzothiophen-3-yl)cyclopent-2-en-1-one
CID 71484784
3-(2-bromophenyl)-2-methyl-1-benzothiophene
CID 147947842
2,3-dimethyl-5,6-bis(2-methyl-1-benzothiophen-3-yl)cyclohexa-2,5-diene-1,4-dione
CID 11144430
bis(dibenzothiophene);ethane
CID 143921746
2-methyl-1-benzothiophene-3-carbaldehyde
CID 3775467
2-ethenyl-1-methyl-3-(2-methyl-1-benzothiophen-3-yl)indole
CID 144848350
6-ethyl-5-(2-methyl-1-benzothiophen-3-yl)pyridin-2-amine
CID 155778424
2-(2-methyl-1-benzothiophen-3-yl)-4-nitrosopyridine
CID 129041879
ethane;bis(2-methyl-1-benzothiophene-3-carbonitrile)
CID 165403824
3-bromo-2-methylthiochromen-4-one
CID 119090270

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene?
The IUPAC name of 2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene (CID 11143270) is 2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene.
What is the SMILES notation for 2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene?
The canonical SMILES for 2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene is Cc1sc2ccccc2c1C1=C(c2c(C)sc3ccccc23)CCCC1.
What is the InChIKey of 2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene?
The InChIKey is DTQCEVODFVSKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22S2/c1-15-23(19-11-5-7-13-21(19)25-15)17-9-3-4-10-18(17)24-16(2)26-22-14-8-6-12-20(22)24/h5-8,11-14H,3-4,9-10H2,1-2H3.
What are the key properties of 2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene?
2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene has a molecular weight of 374.57 g/mol, XLogP of 8.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene is sourced from PubChem (CID 11143270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).