2-(4-methylcyclohexyl)-6-[[2-(4-methylcyclohexyl)-1-benzothiophen-6-yl]oxy]-1-benzothiophene

C30H34OS2 — CID 142760460

IUPAC2-(4-methylcyclohexyl)-6-[[2-(4-methylcyclohexyl)-1-benzothiophen-6-yl]oxy]-1-benzothiophene
SMILESCC1CCC(c2cc3ccc(Oc4ccc5cc(C6CCC(C)CC6)sc5c4)cc3s2)CC1
InChIInChI=1S/C30H34OS2/c1-19-3-7-21(8-4-19)27-15-23-11-13-25(17-29(23)32-27)31-26-14-12-24-16-28(33-30(24)18-26)22-9-5-20(2)6-10-22/h11-22H,3-10H2,1-2H3
InChIKeySJXAEIZLMBXFTN-UHFFFAOYSA-N
MW474.74 g/mol
LogP10.50
Rot. Bonds4

About 2-(4-methylcyclohexyl)-6-[[2-(4-methylcyclohexyl)-1-benzothiophen-6-yl]oxy]-1-benzothiophene

2-(4-methylcyclohexyl)-6-[[2-(4-methylcyclohexyl)-1-benzothiophen-6-yl]oxy]-1-benzothiophene (PubChem CID 142760460) has the molecular formula C30H34OS2 and a molecular weight of 474.74 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-6-[[2-(4-methylcyclohexyl)-1-benzothiophen-6-yl]oxy]-1-benzothiophene.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-6-[[2-(4-methylcyclohexyl)-1-benzothiophen-6-yl]oxy]-1-benzothiophene
PubChem CID142760460
Molecular FormulaC30H34OS2
Molecular Weight474.74 g/mol
Exact Mass474.21
IUPAC Name2-(4-methylcyclohexyl)-6-[[2-(4-methylcyclohexyl)-1-benzothiophen-6-yl]oxy]-1-benzothiophene
SMILESCC1CCC(c2cc3ccc(Oc4ccc5cc(C6CCC(C)CC6)sc5c4)cc3s2)CC1
InChIInChI=1S/C30H34OS2/c1-19-3-7-21(8-4-19)27-15-23-11-13-25(17-29(23)32-27)31-26-14-12-24-16-28(33-30(24)18-26)22-9-5-20(2)6-10-22/h11-22H,3-10H2,1-2H3
InChIKeySJXAEIZLMBXFTN-UHFFFAOYSA-N
XLogP10.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.74
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-6-[[2-(4-methylcyclohexyl)-1-benzothiophen-6-yl]oxy]-1-benzothiophene?
The IUPAC name of 2-(4-methylcyclohexyl)-6-[[2-(4-methylcyclohexyl)-1-benzothiophen-6-yl]oxy]-1-benzothiophene (CID 142760460) is 2-(4-methylcyclohexyl)-6-[[2-(4-methylcyclohexyl)-1-benzothiophen-6-yl]oxy]-1-benzothiophene.
What is the SMILES notation for 2-(4-methylcyclohexyl)-6-[[2-(4-methylcyclohexyl)-1-benzothiophen-6-yl]oxy]-1-benzothiophene?
The canonical SMILES for 2-(4-methylcyclohexyl)-6-[[2-(4-methylcyclohexyl)-1-benzothiophen-6-yl]oxy]-1-benzothiophene is CC1CCC(c2cc3ccc(Oc4ccc5cc(C6CCC(C)CC6)sc5c4)cc3s2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-6-[[2-(4-methylcyclohexyl)-1-benzothiophen-6-yl]oxy]-1-benzothiophene?
The InChIKey is SJXAEIZLMBXFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34OS2/c1-19-3-7-21(8-4-19)27-15-23-11-13-25(17-29(23)32-27)31-26-14-12-24-16-28(33-30(24)18-26)22-9-5-20(2)6-10-22/h11-22H,3-10H2,1-2H3.
What are the key properties of 2-(4-methylcyclohexyl)-6-[[2-(4-methylcyclohexyl)-1-benzothiophen-6-yl]oxy]-1-benzothiophene?
2-(4-methylcyclohexyl)-6-[[2-(4-methylcyclohexyl)-1-benzothiophen-6-yl]oxy]-1-benzothiophene has a molecular weight of 474.74 g/mol, XLogP of 10.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-6-[[2-(4-methylcyclohexyl)-1-benzothiophen-6-yl]oxy]-1-benzothiophene is sourced from PubChem (CID 142760460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).