1-(2-ethenyl-1,3-dihydroinden-2-yl)-1,3,3-tris(prop-2-enyl)-2H-indene

C29H32 — CID 173092791

IUPAC1-(2-ethenyl-1,3-dihydroinden-2-yl)-1,3,3-tris(prop-2-enyl)-2H-indene
SMILESC=CCC1(CC=C)CC(CC=C)(C2(C=C)Cc3ccccc3C2)c2ccccc21
InChIInChI=1S/C29H32/c1-5-17-27(18-6-2)22-29(19-7-3,26-16-12-11-15-25(26)27)28(8-4)20-23-13-9-10-14-24(23)21-28/h5-16H,1-4,17-22H2
InChIKeyGTQUDYGENUSHLZ-UHFFFAOYSA-N
MW380.58 g/mol
LogP7.27
Rot. Bonds8

About 1-(2-ethenyl-1,3-dihydroinden-2-yl)-1,3,3-tris(prop-2-enyl)-2H-indene

1-(2-ethenyl-1,3-dihydroinden-2-yl)-1,3,3-tris(prop-2-enyl)-2H-indene (PubChem CID 173092791) has the molecular formula C29H32 and a molecular weight of 380.58 g/mol. Its IUPAC name is 1-(2-ethenyl-1,3-dihydroinden-2-yl)-1,3,3-tris(prop-2-enyl)-2H-indene.

Molecular Properties

Compound Name1-(2-ethenyl-1,3-dihydroinden-2-yl)-1,3,3-tris(prop-2-enyl)-2H-indene
PubChem CID173092791
Molecular FormulaC29H32
Molecular Weight380.58 g/mol
Exact Mass380.25
IUPAC Name1-(2-ethenyl-1,3-dihydroinden-2-yl)-1,3,3-tris(prop-2-enyl)-2H-indene
SMILESC=CCC1(CC=C)CC(CC=C)(C2(C=C)Cc3ccccc3C2)c2ccccc21
InChIInChI=1S/C29H32/c1-5-17-27(18-6-2)22-29(19-7-3,26-16-12-11-15-25(26)27)28(8-4)20-23-13-9-10-14-24(23)21-28/h5-16H,1-4,17-22H2
InChIKeyGTQUDYGENUSHLZ-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(2-ethenyl-1,3-dihydroinden-2-yl)-1,3,3-tris(prop-2-enyl)-2H-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 1-(2-ethenyl-1,3-dihydroinden-2-yl)-1,3,3-tris(prop-2-enyl)-2H-indene?
The IUPAC name of 1-(2-ethenyl-1,3-dihydroinden-2-yl)-1,3,3-tris(prop-2-enyl)-2H-indene (CID 173092791) is 1-(2-ethenyl-1,3-dihydroinden-2-yl)-1,3,3-tris(prop-2-enyl)-2H-indene.
What is the SMILES notation for 1-(2-ethenyl-1,3-dihydroinden-2-yl)-1,3,3-tris(prop-2-enyl)-2H-indene?
The canonical SMILES for 1-(2-ethenyl-1,3-dihydroinden-2-yl)-1,3,3-tris(prop-2-enyl)-2H-indene is C=CCC1(CC=C)CC(CC=C)(C2(C=C)Cc3ccccc3C2)c2ccccc21.
What is the InChIKey of 1-(2-ethenyl-1,3-dihydroinden-2-yl)-1,3,3-tris(prop-2-enyl)-2H-indene?
The InChIKey is GTQUDYGENUSHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32/c1-5-17-27(18-6-2)22-29(19-7-3,26-16-12-11-15-25(26)27)28(8-4)20-23-13-9-10-14-24(23)21-28/h5-16H,1-4,17-22H2.
What are the key properties of 1-(2-ethenyl-1,3-dihydroinden-2-yl)-1,3,3-tris(prop-2-enyl)-2H-indene?
1-(2-ethenyl-1,3-dihydroinden-2-yl)-1,3,3-tris(prop-2-enyl)-2H-indene has a molecular weight of 380.58 g/mol, XLogP of 7.27, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenyl-1,3-dihydroinden-2-yl)-1,3,3-tris(prop-2-enyl)-2H-indene is sourced from PubChem (CID 173092791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).