6-(1-cyclohexylethenyl)-3-(4-methylphenyl)-2-propyl-3H-indole

C26H31N — CID 156811045

IUPAC6-(1-cyclohexylethenyl)-3-(4-methylphenyl)-2-propyl-3H-indole
SMILESC=C(c1ccc2c(c1)N=C(CCC)C2c1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C26H31N/c1-4-8-24-26(21-13-11-18(2)12-14-21)23-16-15-22(17-25(23)27-24)19(3)20-9-6-5-7-10-20/h11-17,20,26H,3-10H2,1-2H3
InChIKeyFZLGZJIDLDXSGY-UHFFFAOYSA-N
MW357.54 g/mol
LogP7.61
Rot. Bonds5

About 6-(1-cyclohexylethenyl)-3-(4-methylphenyl)-2-propyl-3H-indole

6-(1-cyclohexylethenyl)-3-(4-methylphenyl)-2-propyl-3H-indole (PubChem CID 156811045) has the molecular formula C26H31N and a molecular weight of 357.54 g/mol. Its IUPAC name is 6-(1-cyclohexylethenyl)-3-(4-methylphenyl)-2-propyl-3H-indole.

Molecular Properties

Compound Name6-(1-cyclohexylethenyl)-3-(4-methylphenyl)-2-propyl-3H-indole
PubChem CID156811045
Molecular FormulaC26H31N
Molecular Weight357.54 g/mol
Exact Mass357.25
IUPAC Name6-(1-cyclohexylethenyl)-3-(4-methylphenyl)-2-propyl-3H-indole
SMILESC=C(c1ccc2c(c1)N=C(CCC)C2c1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C26H31N/c1-4-8-24-26(21-13-11-18(2)12-14-21)23-16-15-22(17-25(23)27-24)19(3)20-9-6-5-7-10-20/h11-17,20,26H,3-10H2,1-2H3
InChIKeyFZLGZJIDLDXSGY-UHFFFAOYSA-N
XLogP7.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

butane;1-(4-cyclohexylcyclohexyl)ethanone;1-cyclohexyl-4-methylbenzene
CID 145386737
cyclohexyl-[3-(3,4,8-trimethyl-9bH-pyrrolo[3,4-c]quinolin-1-yl)phenyl]methanone
CID 143812483
1-(1-cyclohexylethenyl)-4-methoxybenzene
CID 122206167
5-(2-cyclohexylbutan-2-yl)-1,3-dimethyl-2-[1-(4-methylphenyl)ethenyl]benzene;methanamine
CID 142440895
1-(1-deuteriocyclohexyl)-4-methylbenzene
CID 140825549
cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene
CID 177043562
1-[(E)-1,2-difluoro-2-(4-propylcyclohexyl)ethenyl]-4-[2-(4-methylphenyl)ethyl]benzene
CID 67590195
ethyl 2-cyclohexyl-3-(4-methylphenyl)-3-oxopropanoate
CID 23650263
1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylcyclohexyl)benzene
CID 139790691
5-methyl-1-[2-(4-methylphenyl)prop-2-enyl]-2,3-dihydro-1H-indene;methylsulfanylmethane;propane
CID 155718336
ethane;5-[5-(4-methylcyclohexanecarbonyl)-1-(4-methylphenyl)-1H-inden-2-yl]pentan-2-one;molecular hydrogen
CID 156810927
11-(4-methylphenyl)-13-propyl-17-oxa-6-thia-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12,15-pentaen-9-amine
CID 134137882

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclohexylethenyl)-3-(4-methylphenyl)-2-propyl-3H-indole?
The IUPAC name of 6-(1-cyclohexylethenyl)-3-(4-methylphenyl)-2-propyl-3H-indole (CID 156811045) is 6-(1-cyclohexylethenyl)-3-(4-methylphenyl)-2-propyl-3H-indole.
What is the SMILES notation for 6-(1-cyclohexylethenyl)-3-(4-methylphenyl)-2-propyl-3H-indole?
The canonical SMILES for 6-(1-cyclohexylethenyl)-3-(4-methylphenyl)-2-propyl-3H-indole is C=C(c1ccc2c(c1)N=C(CCC)C2c1ccc(C)cc1)C1CCCCC1.
What is the InChIKey of 6-(1-cyclohexylethenyl)-3-(4-methylphenyl)-2-propyl-3H-indole?
The InChIKey is FZLGZJIDLDXSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N/c1-4-8-24-26(21-13-11-18(2)12-14-21)23-16-15-22(17-25(23)27-24)19(3)20-9-6-5-7-10-20/h11-17,20,26H,3-10H2,1-2H3.
What are the key properties of 6-(1-cyclohexylethenyl)-3-(4-methylphenyl)-2-propyl-3H-indole?
6-(1-cyclohexylethenyl)-3-(4-methylphenyl)-2-propyl-3H-indole has a molecular weight of 357.54 g/mol, XLogP of 7.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclohexylethenyl)-3-(4-methylphenyl)-2-propyl-3H-indole is sourced from PubChem (CID 156811045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).