2-(4-phenylcyclohexen-1-yl)-5-thiophen-2-ylthiophene

C20H18S2 — CID 122234023

IUPAC2-(4-phenylcyclohexen-1-yl)-5-thiophen-2-ylthiophene
SMILESC1=C(c2ccc(-c3cccs3)s2)CCC(c2ccccc2)C1
InChIInChI=1S/C20H18S2/c1-2-5-15(6-3-1)16-8-10-17(11-9-16)18-12-13-20(22-18)19-7-4-14-21-19/h1-7,10,12-14,16H,8-9,11H2
InChIKeyMAFFUSLVCJPADH-UHFFFAOYSA-N
MW322.50 g/mol
LogP6.83
Rot. Bonds3

About 2-(4-phenylcyclohexen-1-yl)-5-thiophen-2-ylthiophene

2-(4-phenylcyclohexen-1-yl)-5-thiophen-2-ylthiophene (PubChem CID 122234023) has the molecular formula C20H18S2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 2-(4-phenylcyclohexen-1-yl)-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-(4-phenylcyclohexen-1-yl)-5-thiophen-2-ylthiophene
PubChem CID122234023
Molecular FormulaC20H18S2
Molecular Weight322.50 g/mol
Exact Mass322.08
IUPAC Name2-(4-phenylcyclohexen-1-yl)-5-thiophen-2-ylthiophene
SMILESC1=C(c2ccc(-c3cccs3)s2)CCC(c2ccccc2)C1
InChIInChI=1S/C20H18S2/c1-2-5-15(6-3-1)16-8-10-17(11-9-16)18-12-13-20(22-18)19-7-4-14-21-19/h1-7,10,12-14,16H,8-9,11H2
InChIKeyMAFFUSLVCJPADH-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene
CID 134256168
2-(2-phenyl-2-sulfido-3-thiophen-2-yl-4,5,6,7-tetrahydroisophosphindol-2-ium-1-yl)-5-[5-(2-phenyl-2-sulfido-3-thiophen-2-yl-4,5,6,7-tetrahydroisophosphindol-2-ium-1-yl)thiophen-2-yl]thiophene
CID 102463372
2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde
CID 122234024
3-[4-(4-hydroxyphenyl)cyclohexen-1-yl]phenol
CID 174738982
2-(2,3-dihydrothiophen-2-yl)-5-thiophen-2-ylthiophene
CID 123291571
N-[(4S)-4-phenylcyclohexen-1-yl]formamide
CID 86313094
5-thiophen-2-ylthiophene-2-carbonitrile
CID 2739839
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine
CID 59628497
2-thiophen-2-yl-5-[5-(1,3,4-trimethylphosphol-2-yl)thiophen-2-yl]thiophene
CID 102522283
triethoxy-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]silane
CID 59664325

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylcyclohexen-1-yl)-5-thiophen-2-ylthiophene?
The IUPAC name of 2-(4-phenylcyclohexen-1-yl)-5-thiophen-2-ylthiophene (CID 122234023) is 2-(4-phenylcyclohexen-1-yl)-5-thiophen-2-ylthiophene.
What is the SMILES notation for 2-(4-phenylcyclohexen-1-yl)-5-thiophen-2-ylthiophene?
The canonical SMILES for 2-(4-phenylcyclohexen-1-yl)-5-thiophen-2-ylthiophene is C1=C(c2ccc(-c3cccs3)s2)CCC(c2ccccc2)C1.
What is the InChIKey of 2-(4-phenylcyclohexen-1-yl)-5-thiophen-2-ylthiophene?
The InChIKey is MAFFUSLVCJPADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18S2/c1-2-5-15(6-3-1)16-8-10-17(11-9-16)18-12-13-20(22-18)19-7-4-14-21-19/h1-7,10,12-14,16H,8-9,11H2.
What are the key properties of 2-(4-phenylcyclohexen-1-yl)-5-thiophen-2-ylthiophene?
2-(4-phenylcyclohexen-1-yl)-5-thiophen-2-ylthiophene has a molecular weight of 322.50 g/mol, XLogP of 6.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylcyclohexen-1-yl)-5-thiophen-2-ylthiophene is sourced from PubChem (CID 122234023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).