2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-1H-indene

C37H52 — CID 139962779

IUPAC2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-1H-indene
SMILESCCCCCC1=C(CCC)c2ccccc2C1C(C)(C)C1C(CCCCC)=C(CCC)c2ccccc21
InChIInChI=1S/C37H52/c1-7-11-13-23-31-27(19-9-3)29-21-15-17-25-33(29)35(31)37(5,6)36-32(24-14-12-8-2)28(20-10-4)30-22-16-18-26-34(30)36/h15-18,21-22,25-26,35-36H,7-14,19-20,23-24H2,1-6H3
InChIKeyCINVNQINMFWREV-UHFFFAOYSA-N
MW496.82 g/mol
LogP11.88
Rot. Bonds14

About 2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-1H-indene

2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-1H-indene (PubChem CID 139962779) has the molecular formula C37H52 and a molecular weight of 496.82 g/mol. Its IUPAC name is 2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-1H-indene.

Molecular Properties

Compound Name2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-1H-indene
PubChem CID139962779
Molecular FormulaC37H52
Molecular Weight496.82 g/mol
Exact Mass496.41
IUPAC Name2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-1H-indene
SMILESCCCCCC1=C(CCC)c2ccccc2C1C(C)(C)C1C(CCCCC)=C(CCC)c2ccccc21
InChIInChI=1S/C37H52/c1-7-11-13-23-31-27(19-9-3)29-21-15-17-25-33(29)35(31)37(5,6)36-32(24-14-12-8-2)28(20-10-4)30-22-16-18-26-34(30)36/h15-18,21-22,25-26,35-36H,7-14,19-20,23-24H2,1-6H3
InChIKeyCINVNQINMFWREV-UHFFFAOYSA-N
XLogP11.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.82
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-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

2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene
CID 139962852
2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene
CID 139962800
9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
9-nonyl-9H-fluorene
CID 22568532
1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene
CID 139962865
2-(2-methylpropyl)-1-[2-[2-(2-methylpropyl)-4-pentyl-1H-inden-1-yl]propan-2-yl]-4-pentyl-1H-indene
CID 139962811
1,3-didodecyl-1H-indene
CID 177256728
9-pentoxy-9H-fluorene
CID 175299691
1-(1,1-difluoroethyl)-2-pentylbenzene
CID 143129325
5,10-dihexylindeno[2,1-a]indene
CID 139044126
dimethyl-(2-methyl-3-propyl-1H-inden-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 158268305
4-butyl-2-[1-[2-[2-(4-butylfuran-2-yl)-1H-inden-1-yl]propan-2-yl]-1H-inden-2-yl]furan
CID 139962705

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-1H-indene?
The IUPAC name of 2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-1H-indene (CID 139962779) is 2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-1H-indene.
What is the SMILES notation for 2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-1H-indene?
The canonical SMILES for 2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-1H-indene is CCCCCC1=C(CCC)c2ccccc2C1C(C)(C)C1C(CCCCC)=C(CCC)c2ccccc21.
What is the InChIKey of 2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-1H-indene?
The InChIKey is CINVNQINMFWREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H52/c1-7-11-13-23-31-27(19-9-3)29-21-15-17-25-33(29)35(31)37(5,6)36-32(24-14-12-8-2)28(20-10-4)30-22-16-18-26-34(30)36/h15-18,21-22,25-26,35-36H,7-14,19-20,23-24H2,1-6H3.
What are the key properties of 2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-1H-indene?
2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-1H-indene has a molecular weight of 496.82 g/mol, XLogP of 11.88, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-1H-indene is sourced from PubChem (CID 139962779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).