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

C30H32 — CID 161210190

IUPAC1-ethyl-4-[4-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]phenyl]benzene
SMILESCCc1ccc(C#CC2CCC(c3ccc(-c4ccc(CC)cc4)cc3)CC2)cc1
InChIInChI=1S/C30H32/c1-3-23-5-7-25(8-6-23)9-10-26-13-17-28(18-14-26)30-21-19-29(20-22-30)27-15-11-24(4-2)12-16-27/h5-8,11-12,15-16,19-22,26,28H,3-4,13-14,17-18H2,1-2H3
InChIKeyAUDAKGMWDJCXGQ-UHFFFAOYSA-N
MW392.59 g/mol
LogP7.80
Rot. Bonds4

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

1-ethyl-4-[4-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]phenyl]benzene (PubChem CID 161210190) has the molecular formula C30H32 and a molecular weight of 392.59 g/mol. Its IUPAC name is 1-ethyl-4-[4-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[4-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]phenyl]benzene
PubChem CID161210190
Molecular FormulaC30H32
Molecular Weight392.59 g/mol
Exact Mass392.25
IUPAC Name1-ethyl-4-[4-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]phenyl]benzene
SMILESCCc1ccc(C#CC2CCC(c3ccc(-c4ccc(CC)cc4)cc3)CC2)cc1
InChIInChI=1S/C30H32/c1-3-23-5-7-25(8-6-23)9-10-26-13-17-28(18-14-26)30-21-19-29(20-22-30)27-15-11-24(4-2)12-16-27/h5-8,11-12,15-16,19-22,26,28H,3-4,13-14,17-18H2,1-2H3
InChIKeyAUDAKGMWDJCXGQ-UHFFFAOYSA-N
XLogP7.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 57.80
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-[2-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]ethynyl]phenyl]benzene
CID 161210191
1-ethoxy-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]benzene
CID 19984146
1-butyl-4-[2-[4-(4-butylphenyl)cyclohexyl]ethynyl]benzene
CID 19983873
1-heptyl-4-[2-[4-(4-pentylphenyl)cyclohexyl]ethynyl]benzene
CID 19984134
1-butyl-4-[2-[4-(4-heptylphenyl)cyclohexyl]ethynyl]benzene
CID 19983904
1-methyl-4-[2-[4-(4-nonylphenyl)cyclohexyl]ethynyl]benzene
CID 19984178
1-hexyl-4-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]benzene
CID 19984884
1-octyl-4-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]benzene
CID 19984382
1-butyl-4-[4-[2-(4-propylphenyl)ethynyl]cyclohexyl]benzene;1-heptyl-4-[4-[2-(4-propylphenyl)ethynyl]cyclohexyl]benzene;1-hexyl-4-[4-[2-(4-propylphenyl)ethynyl]cyclohexyl]benzene;1-pentyl-4-[4-[2-(4-propylphenyl)ethynyl]cyclohexyl]benzene
CID 173394264
1-butyl-4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]-2-fluorobenzene
CID 19984920
4-[2-[4-(4-ethylphenyl)cyclohexyl]ethynyl]-2-fluoro-1-hexylbenzene
CID 19984644
1-butyl-4-[2-[4-(4-ethoxyphenyl)cyclohexyl]ethynyl]benzene
CID 19985066

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]phenyl]benzene?
The IUPAC name of 1-ethyl-4-[4-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]phenyl]benzene (CID 161210190) is 1-ethyl-4-[4-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]phenyl]benzene.
What is the SMILES notation for 1-ethyl-4-[4-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]phenyl]benzene?
The canonical SMILES for 1-ethyl-4-[4-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]phenyl]benzene is CCc1ccc(C#CC2CCC(c3ccc(-c4ccc(CC)cc4)cc3)CC2)cc1.
What is the InChIKey of 1-ethyl-4-[4-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]phenyl]benzene?
The InChIKey is AUDAKGMWDJCXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32/c1-3-23-5-7-25(8-6-23)9-10-26-13-17-28(18-14-26)30-21-19-29(20-22-30)27-15-11-24(4-2)12-16-27/h5-8,11-12,15-16,19-22,26,28H,3-4,13-14,17-18H2,1-2H3.
What are the key properties of 1-ethyl-4-[4-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]phenyl]benzene?
1-ethyl-4-[4-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]phenyl]benzene has a molecular weight of 392.59 g/mol, XLogP of 7.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-[4-[2-(4-ethylphenyl)ethynyl]cyclohexyl]phenyl]benzene is sourced from PubChem (CID 161210190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).