7-[(4-cyclohexylphenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-indene

C31H32 — CID 58046290

IUPAC7-[(4-cyclohexylphenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-indene
SMILESC1=CC2C(=C1)C(Cc1ccc(C3CCCCC3)cc1)=CC=C2c1ccc2c(c1)CCC2
InChIInChI=1S/C31H32/c1-2-6-23(7-3-1)25-14-12-22(13-15-25)20-27-18-19-30(31-11-5-10-29(27)31)28-17-16-24-8-4-9-26(24)21-28/h5,10-19,21,23,31H,1-4,6-9,20H2
InChIKeyXLMYQVXWAASVKA-UHFFFAOYSA-N
MW404.60 g/mol
LogP7.90
Rot. Bonds4

About 7-[(4-cyclohexylphenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-indene

7-[(4-cyclohexylphenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-indene (PubChem CID 58046290) has the molecular formula C31H32 and a molecular weight of 404.60 g/mol. Its IUPAC name is 7-[(4-cyclohexylphenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-indene.

Molecular Properties

Compound Name7-[(4-cyclohexylphenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-indene
PubChem CID58046290
Molecular FormulaC31H32
Molecular Weight404.60 g/mol
Exact Mass404.25
IUPAC Name7-[(4-cyclohexylphenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-indene
SMILESC1=CC2C(=C1)C(Cc1ccc(C3CCCCC3)cc1)=CC=C2c1ccc2c(c1)CCC2
InChIInChI=1S/C31H32/c1-2-6-23(7-3-1)25-14-12-22(13-15-25)20-27-18-19-30(31-11-5-10-29(27)31)28-17-16-24-8-4-9-26(24)21-28/h5,10-19,21,23,31H,1-4,6-9,20H2
InChIKeyXLMYQVXWAASVKA-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-[(4-cyclohexylphenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-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

4-(2,3-dihydro-1H-inden-5-yl)-7-[[4-[[4-(3-methylcyclohexyl)cyclohexyl]methyl]phenyl]methyl]-3aH-indene
CID 58046234
4-(4-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene
CID 58046266
4-(3-ethylphenyl)-7-[[4-(4-pentan-3-ylcyclohexyl)phenyl]methyl]-3aH-indene
CID 58046160
7-[[4-(4-cyclobutylcyclohexyl)phenyl]methyl]-4-(3-ethylphenyl)-3aH-indene;7-[[4-[3-(3-cyclopenta-2,4-dien-1-ylphenyl)propyl]phenyl]methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-indene;4-(1H-inden-4-yl)-7-[[4-(4-propan-2-ylcyclohexyl)phenyl]methyl]-3aH-indene
CID 159448369
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79968934
4-cyclohexa-1,5-dien-1-yl-7-[[4-(4-propylcyclohexyl)phenyl]methyl]-3aH-indene
CID 58046186
2-[[4-[(7-cyclohexa-1,5-dien-1-yl-7aH-inden-4-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene
CID 58046137
6-cyclohexyl-1,2,3,4-tetrahydroanthracene
CID 141269352
3-(2,3-dihydro-1H-inden-5-yl)cycloheptan-1-ol
CID 114194593
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
1-(2-chloropropyl)-4-cyclohexylbenzene
CID 82255538
(4-cyclohexylphenyl)methanamine
CID 22246867

Frequently Asked Questions

What is the IUPAC name of 7-[(4-cyclohexylphenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-indene?
The IUPAC name of 7-[(4-cyclohexylphenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-indene (CID 58046290) is 7-[(4-cyclohexylphenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-indene.
What is the SMILES notation for 7-[(4-cyclohexylphenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-indene?
The canonical SMILES for 7-[(4-cyclohexylphenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-indene is C1=CC2C(=C1)C(Cc1ccc(C3CCCCC3)cc1)=CC=C2c1ccc2c(c1)CCC2.
What is the InChIKey of 7-[(4-cyclohexylphenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-indene?
The InChIKey is XLMYQVXWAASVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32/c1-2-6-23(7-3-1)25-14-12-22(13-15-25)20-27-18-19-30(31-11-5-10-29(27)31)28-17-16-24-8-4-9-26(24)21-28/h5,10-19,21,23,31H,1-4,6-9,20H2.
What are the key properties of 7-[(4-cyclohexylphenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-indene?
7-[(4-cyclohexylphenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-indene has a molecular weight of 404.60 g/mol, XLogP of 7.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-cyclohexylphenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-3aH-indene is sourced from PubChem (CID 58046290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).