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

C114H148 — CID 173394264

IUPAC1-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
SMILESCCCCCCCc1ccc(C2CCC(C#Cc3ccc(CCC)cc3)CC2)cc1.CCCCCCc1ccc(C2CCC(C#Cc3ccc(CCC)cc3)CC2)cc1.CCCCCc1ccc(C2CCC(C#Cc3ccc(CCC)cc3)CC2)cc1.CCCCc1ccc(C2CCC(C#Cc3ccc(CCC)cc3)CC2)cc1
InChIInChI=1S/C30H40.C29H38.C28H36.C27H34/c1-3-5-6-7-8-10-26-17-21-29(22-18-26)30-23-19-28(20-24-30)16-15-27-13-11-25(9-4-2)12-14-27;1-3-5-6-7-9-25-16-20-28(21-17-25)29-22-18-27(19-23-29)15-14-26-12-10-24(8-4-2)11-13-26;1-3-5-6-8-24-15-19-27(20-16-24)28-21-17-26(18-22-28)14-13-25-11-9-23(7-4-2)10-12-25;1-3-5-7-23-14-18-26(19-15-23)27-20-16-25(17-21-27)13-12-24-10-8-22(6-4-2)9-11-24/h11-14,17-18,21-22,28,30H,3-10,19-20,23-24H2,1-2H3;10-13,16-17,20-21,27,29H,3-9,18-19,22-23H2,1-2H3;9-12,15-16,19-20,26,28H,3-8,17-18,21-22H2,1-2H3;8-11,14-15,18-19,25,27H,3-7,16-17,20-21H2,1-2H3
InChIKeyFZVUKOLBHAQWPO-UHFFFAOYSA-N
MW1518.44 g/mol
LogP31.57
Rot. Bonds30

About 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

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 (PubChem CID 173394264) has the molecular formula C114H148 and a molecular weight of 1518.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID173394264
Molecular FormulaC114H148
Molecular Weight1518.44 g/mol
Exact Mass1517.16
IUPAC Name1-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
SMILESCCCCCCCc1ccc(C2CCC(C#Cc3ccc(CCC)cc3)CC2)cc1.CCCCCCc1ccc(C2CCC(C#Cc3ccc(CCC)cc3)CC2)cc1.CCCCCc1ccc(C2CCC(C#Cc3ccc(CCC)cc3)CC2)cc1.CCCCc1ccc(C2CCC(C#Cc3ccc(CCC)cc3)CC2)cc1
InChIInChI=1S/C30H40.C29H38.C28H36.C27H34/c1-3-5-6-7-8-10-26-17-21-29(22-18-26)30-23-19-28(20-24-30)16-15-27-13-11-25(9-4-2)12-14-27;1-3-5-6-7-9-25-16-20-28(21-17-25)29-22-18-27(19-23-29)15-14-26-12-10-24(8-4-2)11-13-26;1-3-5-6-8-24-15-19-27(20-16-24)28-21-17-26(18-22-28)14-13-25-11-9-23(7-4-2)10-12-25;1-3-5-7-23-14-18-26(19-15-23)27-20-16-25(17-21-27)13-12-24-10-8-22(6-4-2)9-11-24/h11-14,17-18,21-22,28,30H,3-10,19-20,23-24H2,1-2H3;10-13,16-17,20-21,27,29H,3-9,18-19,22-23H2,1-2H3;9-12,15-16,19-20,26,28H,3-8,17-18,21-22H2,1-2H3;8-11,14-15,18-19,25,27H,3-7,16-17,20-21H2,1-2H3
InChIKeyFZVUKOLBHAQWPO-UHFFFAOYSA-N
XLogP31.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001518.44
LogP ≤ 531.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-[2-[4-(4-heptylphenyl)cyclohexyl]ethynyl]benzene
CID 19983904
1-heptyl-4-[2-[4-(4-pentylphenyl)cyclohexyl]ethynyl]benzene
CID 19984134
1-butyl-4-[2-[4-(4-butylphenyl)cyclohexyl]ethynyl]benzene
CID 19983873
1-methyl-4-[2-[4-(4-nonylphenyl)cyclohexyl]ethynyl]benzene
CID 19984178
1-heptoxy-4-[4-[2-(4-pentylphenyl)ethynyl]cyclohexyl]benzene
CID 19984502
1-hexyl-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]cyclohexyl]benzene
CID 19984122
1-butyl-4-[2-[4-(4-ethoxyphenyl)cyclohexyl]ethynyl]benzene
CID 19985066
1-butyl-2-chloro-4-[2-[4-(4-heptylphenyl)cyclohexyl]ethynyl]benzene
CID 19985011
2,3-difluoro-6-[4-[2-(4-heptylphenyl)ethynyl]cyclohexyl]naphthalene
CID 139847149
1-hexyl-4-[4-[2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethynyl]cyclohexyl]benzene
CID 19810267

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCc1ccc(C2CCC(C#Cc3ccc(CCC)cc3)CC2)cc1.CCCCCCc1ccc(C2CCC(C#Cc3ccc(CCC)cc3)CC2)cc1.CCCCCc1ccc(C2CCC(C#Cc3ccc(CCC)cc3)CC2)cc1.CCCCc1ccc(C2CCC(C#Cc3ccc(CCC)cc3)CC2)cc1.
What is the InChIKey of 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?
The InChIKey is FZVUKOLBHAQWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40.C29H38.C28H36.C27H34/c1-3-5-6-7-8-10-26-17-21-29(22-18-26)30-23-19-28(20-24-30)16-15-27-13-11-25(9-4-2)12-14-27;1-3-5-6-7-9-25-16-20-28(21-17-25)29-22-18-27(19-23-29)15-14-26-12-10-24(8-4-2)11-13-26;1-3-5-6-8-24-15-19-27(20-16-24)28-21-17-26(18-22-28)14-13-25-11-9-23(7-4-2)10-12-25;1-3-5-7-23-14-18-26(19-15-23)27-20-16-25(17-21-27)13-12-24-10-8-22(6-4-2)9-11-24/h11-14,17-18,21-22,28,30H,3-10,19-20,23-24H2,1-2H3;10-13,16-17,20-21,27,29H,3-9,18-19,22-23H2,1-2H3;9-12,15-16,19-20,26,28H,3-8,17-18,21-22H2,1-2H3;8-11,14-15,18-19,25,27H,3-7,16-17,20-21H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1518.44 g/mol, XLogP of 31.57, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 173394264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).