3-pentan-2-yl-1-[(3-pentan-2-yl-1H-inden-1-yl)methyl]-1H-indene

C29H36 — CID 22595410

IUPAC3-pentan-2-yl-1-[(3-pentan-2-yl-1H-inden-1-yl)methyl]-1H-indene
SMILESCCCC(C)C1=CC(CC2C=C(C(C)CCC)c3ccccc32)c2ccccc21
InChIInChI=1S/C29H36/c1-5-11-20(3)28-18-22(24-13-7-9-15-26(24)28)17-23-19-29(21(4)12-6-2)27-16-10-8-14-25(23)27/h7-10,13-16,18-23H,5-6,11-12,17H2,1-4H3
InChIKeyKNGIDTRVYAZTTJ-UHFFFAOYSA-N
MW384.61 g/mol
LogP8.61
Rot. Bonds8

About 3-pentan-2-yl-1-[(3-pentan-2-yl-1H-inden-1-yl)methyl]-1H-indene

3-pentan-2-yl-1-[(3-pentan-2-yl-1H-inden-1-yl)methyl]-1H-indene (PubChem CID 22595410) has the molecular formula C29H36 and a molecular weight of 384.61 g/mol. Its IUPAC name is 3-pentan-2-yl-1-[(3-pentan-2-yl-1H-inden-1-yl)methyl]-1H-indene.

Molecular Properties

Compound Name3-pentan-2-yl-1-[(3-pentan-2-yl-1H-inden-1-yl)methyl]-1H-indene
PubChem CID22595410
Molecular FormulaC29H36
Molecular Weight384.61 g/mol
Exact Mass384.28
IUPAC Name3-pentan-2-yl-1-[(3-pentan-2-yl-1H-inden-1-yl)methyl]-1H-indene
SMILESCCCC(C)C1=CC(CC2C=C(C(C)CCC)c3ccccc32)c2ccccc21
InChIInChI=1S/C29H36/c1-5-11-20(3)28-18-22(24-13-7-9-15-26(24)28)17-23-19-29(21(4)12-6-2)27-16-10-8-14-25(23)27/h7-10,13-16,18-23H,5-6,11-12,17H2,1-4H3
InChIKeyKNGIDTRVYAZTTJ-UHFFFAOYSA-N
XLogP8.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.61
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-pentan-2-yl-1-[(3-pentan-2-yl-1H-inden-1-yl)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

Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yl-1-[(3-pentan-2-yl-1H-inden-1-yl)methyl]-1H-indene?
The IUPAC name of 3-pentan-2-yl-1-[(3-pentan-2-yl-1H-inden-1-yl)methyl]-1H-indene (CID 22595410) is 3-pentan-2-yl-1-[(3-pentan-2-yl-1H-inden-1-yl)methyl]-1H-indene.
What is the SMILES notation for 3-pentan-2-yl-1-[(3-pentan-2-yl-1H-inden-1-yl)methyl]-1H-indene?
The canonical SMILES for 3-pentan-2-yl-1-[(3-pentan-2-yl-1H-inden-1-yl)methyl]-1H-indene is CCCC(C)C1=CC(CC2C=C(C(C)CCC)c3ccccc32)c2ccccc21.
What is the InChIKey of 3-pentan-2-yl-1-[(3-pentan-2-yl-1H-inden-1-yl)methyl]-1H-indene?
The InChIKey is KNGIDTRVYAZTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36/c1-5-11-20(3)28-18-22(24-13-7-9-15-26(24)28)17-23-19-29(21(4)12-6-2)27-16-10-8-14-25(23)27/h7-10,13-16,18-23H,5-6,11-12,17H2,1-4H3.
What are the key properties of 3-pentan-2-yl-1-[(3-pentan-2-yl-1H-inden-1-yl)methyl]-1H-indene?
3-pentan-2-yl-1-[(3-pentan-2-yl-1H-inden-1-yl)methyl]-1H-indene has a molecular weight of 384.61 g/mol, XLogP of 8.61, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yl-1-[(3-pentan-2-yl-1H-inden-1-yl)methyl]-1H-indene is sourced from PubChem (CID 22595410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).