3-[1-[3-[(3-cyclohexyl-5-methylphenyl)methyl]phenyl]ethyl]-7-methyl-1H-indene

C32H36 — CID 123963282

IUPAC3-[1-[3-[(3-cyclohexyl-5-methylphenyl)methyl]phenyl]ethyl]-7-methyl-1H-indene
SMILESCc1cc(Cc2cccc(C(C)C3=CCc4c(C)cccc43)c2)cc(C2CCCCC2)c1
InChIInChI=1S/C32H36/c1-22-17-26(21-29(18-22)27-11-5-4-6-12-27)19-25-10-8-13-28(20-25)24(3)31-16-15-30-23(2)9-7-14-32(30)31/h7-10,13-14,16-18,20-21,24,27H,4-6,11-12,15,19H2,1-3H3
InChIKeyGEOKUAMBYGFCDM-UHFFFAOYSA-N
MW420.64 g/mol
LogP8.69
Rot. Bonds5

About 3-[1-[3-[(3-cyclohexyl-5-methylphenyl)methyl]phenyl]ethyl]-7-methyl-1H-indene

3-[1-[3-[(3-cyclohexyl-5-methylphenyl)methyl]phenyl]ethyl]-7-methyl-1H-indene (PubChem CID 123963282) has the molecular formula C32H36 and a molecular weight of 420.64 g/mol. Its IUPAC name is 3-[1-[3-[(3-cyclohexyl-5-methylphenyl)methyl]phenyl]ethyl]-7-methyl-1H-indene.

Molecular Properties

Compound Name3-[1-[3-[(3-cyclohexyl-5-methylphenyl)methyl]phenyl]ethyl]-7-methyl-1H-indene
PubChem CID123963282
Molecular FormulaC32H36
Molecular Weight420.64 g/mol
Exact Mass420.28
IUPAC Name3-[1-[3-[(3-cyclohexyl-5-methylphenyl)methyl]phenyl]ethyl]-7-methyl-1H-indene
SMILESCc1cc(Cc2cccc(C(C)C3=CCc4c(C)cccc43)c2)cc(C2CCCCC2)c1
InChIInChI=1S/C32H36/c1-22-17-26(21-29(18-22)27-11-5-4-6-12-27)19-25-10-8-13-28(20-25)24(3)31-16-15-30-23(2)9-7-14-32(30)31/h7-10,13-14,16-18,20-21,24,27H,4-6,11-12,15,19H2,1-3H3
InChIKeyGEOKUAMBYGFCDM-UHFFFAOYSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-[1-[3-[(3-cyclohexyl-5-methylphenyl)methyl]phenyl]ethyl]-7-methyl-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene
CID 19990202
3-(3-cyclohexylphenyl)-2-methylpropanoic acid
CID 115006126
1-tert-butyl-3-cyclohexyl-5-methylbenzene
CID 155650846
2-cyclohexyl-4-[(3-cyclohexylphenyl)methyl]-5-methylphenol
CID 175318252
1-cyclohexyl-3-hexan-3-yl-5-methylbenzene
CID 143194655
1-(3-cyclobutylphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 114602821
(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81391460
1-cyclobutyl-3-(2-methylpropyl)benzene
CID 169137072
(3-cyclohexylphenyl)methanethiol
CID 22000684
(3-cycloheptylphenyl)methanol
CID 84672634
2-tert-butyl-5-methyl-1-[(1R)-1-(3-methylphenyl)ethyl]-3-[(3-methylphenyl)methyl]benzene
CID 155642957
1-(4-cyclobutylphenyl)-2-(3-methylphenyl)ethanol
CID 116505746

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-[(3-cyclohexyl-5-methylphenyl)methyl]phenyl]ethyl]-7-methyl-1H-indene?
The IUPAC name of 3-[1-[3-[(3-cyclohexyl-5-methylphenyl)methyl]phenyl]ethyl]-7-methyl-1H-indene (CID 123963282) is 3-[1-[3-[(3-cyclohexyl-5-methylphenyl)methyl]phenyl]ethyl]-7-methyl-1H-indene.
What is the SMILES notation for 3-[1-[3-[(3-cyclohexyl-5-methylphenyl)methyl]phenyl]ethyl]-7-methyl-1H-indene?
The canonical SMILES for 3-[1-[3-[(3-cyclohexyl-5-methylphenyl)methyl]phenyl]ethyl]-7-methyl-1H-indene is Cc1cc(Cc2cccc(C(C)C3=CCc4c(C)cccc43)c2)cc(C2CCCCC2)c1.
What is the InChIKey of 3-[1-[3-[(3-cyclohexyl-5-methylphenyl)methyl]phenyl]ethyl]-7-methyl-1H-indene?
The InChIKey is GEOKUAMBYGFCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36/c1-22-17-26(21-29(18-22)27-11-5-4-6-12-27)19-25-10-8-13-28(20-25)24(3)31-16-15-30-23(2)9-7-14-32(30)31/h7-10,13-14,16-18,20-21,24,27H,4-6,11-12,15,19H2,1-3H3.
What are the key properties of 3-[1-[3-[(3-cyclohexyl-5-methylphenyl)methyl]phenyl]ethyl]-7-methyl-1H-indene?
3-[1-[3-[(3-cyclohexyl-5-methylphenyl)methyl]phenyl]ethyl]-7-methyl-1H-indene has a molecular weight of 420.64 g/mol, XLogP of 8.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-[(3-cyclohexyl-5-methylphenyl)methyl]phenyl]ethyl]-7-methyl-1H-indene is sourced from PubChem (CID 123963282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).