1-ethyl-4-[4-[2-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]ethynyl]phenyl]benzene

C32H32 — CID 161210191

IUPAC1-ethyl-4-[4-[2-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]ethynyl]phenyl]benzene
SMILESCCc1ccc(C#CC2CCC(C#Cc3ccc(-c4ccc(CC)cc4)cc3)CC2)cc1
InChIInChI=1S/C32H32/c1-3-25-5-7-27(8-6-25)9-10-28-11-13-29(14-12-28)15-16-30-19-23-32(24-20-30)31-21-17-26(4-2)18-22-31/h5-8,17-24,28-29H,3-4,11-14H2,1-2H3
InChIKeyYLAKQQQCOHWBLB-UHFFFAOYSA-N
MW416.61 g/mol
LogP7.69
Rot. Bonds3

About 1-ethyl-4-[4-[2-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]ethynyl]phenyl]benzene

1-ethyl-4-[4-[2-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]ethynyl]phenyl]benzene (PubChem CID 161210191) has the molecular formula C32H32 and a molecular weight of 416.61 g/mol. Its IUPAC name is 1-ethyl-4-[4-[2-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]ethynyl]phenyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[4-[2-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]ethynyl]phenyl]benzene
PubChem CID161210191
Molecular FormulaC32H32
Molecular Weight416.61 g/mol
Exact Mass416.25
IUPAC Name1-ethyl-4-[4-[2-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]ethynyl]phenyl]benzene
SMILESCCc1ccc(C#CC2CCC(C#Cc3ccc(-c4ccc(CC)cc4)cc3)CC2)cc1
InChIInChI=1S/C32H32/c1-3-25-5-7-27(8-6-25)9-10-28-11-13-29(14-12-28)15-16-30-19-23-32(24-20-30)31-21-17-26(4-2)18-22-31/h5-8,17-24,28-29H,3-4,11-14H2,1-2H3
InChIKeyYLAKQQQCOHWBLB-UHFFFAOYSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-[4-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]phenyl]benzene
CID 161210190
1-ethoxy-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]benzene
CID 19984146
4-[4-[2-(4-ethylcyclohexyl)ethynyl]phenyl]benzonitrile;4-[4-[2-(4-propylcyclohexyl)ethynyl]phenyl]benzonitrile
CID 70383381
1-butyl-4-[2-[4-(4-butylphenyl)cyclohexyl]ethynyl]benzene
CID 19983873
4-[4-[2-(4-decylcyclohexyl)ethynyl]phenyl]benzonitrile
CID 19984362
1-[2-(4-ethylcyclohexyl)ethynyl]-4-(4-hexoxyphenyl)benzene
CID 57314707
1,4-bis[2-(4-pentylcyclohexyl)ethynyl]benzene
CID 19983762
2-fluoro-4-[4-[2-(4-methylcyclohexyl)ethynyl]phenyl]-1-propylbenzene
CID 19984826
1-ethoxy-4-[4-[2-(4-pentylcyclohexyl)ethynyl]phenyl]benzene
CID 19984769
1-heptyl-4-[2-[4-(4-pentylphenyl)cyclohexyl]ethynyl]benzene
CID 19984134
1-(2-cyclopropylethynyl)-4-propan-2-ylbenzene
CID 130055881
1-methyl-4-[2-[4-(4-nonylphenyl)cyclohexyl]ethynyl]benzene
CID 19984178

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-[2-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]ethynyl]phenyl]benzene?
The IUPAC name of 1-ethyl-4-[4-[2-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]ethynyl]phenyl]benzene (CID 161210191) is 1-ethyl-4-[4-[2-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]ethynyl]phenyl]benzene.
What is the SMILES notation for 1-ethyl-4-[4-[2-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]ethynyl]phenyl]benzene?
The canonical SMILES for 1-ethyl-4-[4-[2-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]ethynyl]phenyl]benzene is CCc1ccc(C#CC2CCC(C#Cc3ccc(-c4ccc(CC)cc4)cc3)CC2)cc1.
What is the InChIKey of 1-ethyl-4-[4-[2-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]ethynyl]phenyl]benzene?
The InChIKey is YLAKQQQCOHWBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32/c1-3-25-5-7-27(8-6-25)9-10-28-11-13-29(14-12-28)15-16-30-19-23-32(24-20-30)31-21-17-26(4-2)18-22-31/h5-8,17-24,28-29H,3-4,11-14H2,1-2H3.
What are the key properties of 1-ethyl-4-[4-[2-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]ethynyl]phenyl]benzene?
1-ethyl-4-[4-[2-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]ethynyl]phenyl]benzene has a molecular weight of 416.61 g/mol, XLogP of 7.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-[2-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]ethynyl]phenyl]benzene is sourced from PubChem (CID 161210191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).