3-cyclohexyl-1-pentyl-4-phenyl-2-(4-propylcyclohexyl)benzene

C32H46 — CID 173141669

IUPAC3-cyclohexyl-1-pentyl-4-phenyl-2-(4-propylcyclohexyl)benzene
SMILESCCCCCc1ccc(-c2ccccc2)c(C2CCCCC2)c1C1CCC(CCC)CC1
InChIInChI=1S/C32H46/c1-3-5-8-16-28-23-24-30(26-14-9-6-10-15-26)32(27-17-11-7-12-18-27)31(28)29-21-19-25(13-4-2)20-22-29/h6,9-10,14-15,23-25,27,29H,3-5,7-8,11-13,16-22H2,1-2H3
InChIKeySZTMXTFTCDUMMP-UHFFFAOYSA-N
MW430.72 g/mol
LogP10.21
Rot. Bonds9

About 3-cyclohexyl-1-pentyl-4-phenyl-2-(4-propylcyclohexyl)benzene

3-cyclohexyl-1-pentyl-4-phenyl-2-(4-propylcyclohexyl)benzene (PubChem CID 173141669) has the molecular formula C32H46 and a molecular weight of 430.72 g/mol. Its IUPAC name is 3-cyclohexyl-1-pentyl-4-phenyl-2-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name3-cyclohexyl-1-pentyl-4-phenyl-2-(4-propylcyclohexyl)benzene
PubChem CID173141669
Molecular FormulaC32H46
Molecular Weight430.72 g/mol
Exact Mass430.36
IUPAC Name3-cyclohexyl-1-pentyl-4-phenyl-2-(4-propylcyclohexyl)benzene
SMILESCCCCCc1ccc(-c2ccccc2)c(C2CCCCC2)c1C1CCC(CCC)CC1
InChIInChI=1S/C32H46/c1-3-5-8-16-28-23-24-30(26-14-9-6-10-15-26)32(27-17-11-7-12-18-27)31(28)29-21-19-25(13-4-2)20-22-29/h6,9-10,14-15,23-25,27,29H,3-5,7-8,11-13,16-22H2,1-2H3
InChIKeySZTMXTFTCDUMMP-UHFFFAOYSA-N
XLogP10.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-1-pentyl-3-phenylbenzene;formonitrile
CID 70430440
2-cyclohexyl-6-phenyl-3-propylbenzonitrile
CID 141484264
1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)benzene
CID 139710983
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730642
2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene
CID 19103585
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene
CID 67729720
1-phenyl-2-propoxy-3,4-bis(4-propylcyclohexyl)benzene
CID 56626667
1-cyclohexyl-2-heptylbenzene
CID 154399814
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-hexylbenzene
CID 67730226
1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene
CID 173398550
2-bromo-3-fluoro-1-pentyl-4-phenylbenzene
CID 23127891
1,3-dicyclohexyl-2-(2-fluoroethyl)-4-pentylbenzene
CID 141229460

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-pentyl-4-phenyl-2-(4-propylcyclohexyl)benzene?
The IUPAC name of 3-cyclohexyl-1-pentyl-4-phenyl-2-(4-propylcyclohexyl)benzene (CID 173141669) is 3-cyclohexyl-1-pentyl-4-phenyl-2-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 3-cyclohexyl-1-pentyl-4-phenyl-2-(4-propylcyclohexyl)benzene?
The canonical SMILES for 3-cyclohexyl-1-pentyl-4-phenyl-2-(4-propylcyclohexyl)benzene is CCCCCc1ccc(-c2ccccc2)c(C2CCCCC2)c1C1CCC(CCC)CC1.
What is the InChIKey of 3-cyclohexyl-1-pentyl-4-phenyl-2-(4-propylcyclohexyl)benzene?
The InChIKey is SZTMXTFTCDUMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46/c1-3-5-8-16-28-23-24-30(26-14-9-6-10-15-26)32(27-17-11-7-12-18-27)31(28)29-21-19-25(13-4-2)20-22-29/h6,9-10,14-15,23-25,27,29H,3-5,7-8,11-13,16-22H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-pentyl-4-phenyl-2-(4-propylcyclohexyl)benzene?
3-cyclohexyl-1-pentyl-4-phenyl-2-(4-propylcyclohexyl)benzene has a molecular weight of 430.72 g/mol, XLogP of 10.21, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-pentyl-4-phenyl-2-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 173141669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).