tris(1H-inden-1-ide);lanthanum(3+)

C27H21La — CID 19591692

IUPACtris(1H-inden-1-ide);lanthanum(3+)
SMILES[La+3].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/3C9H7.La/c3*1-2-5-9-7-3-6-8(9)4-1;/h3*1-7H;/q3*-1;+3
InChIKeyPXDXLALQIBCHDS-UHFFFAOYSA-N
MW484.37 g/mol
LogP7.68
Rot. Bonds

About tris(1H-inden-1-ide);lanthanum(3+)

tris(1H-inden-1-ide);lanthanum(3+) (PubChem CID 19591692) has the molecular formula C27H21La and a molecular weight of 484.37 g/mol. Its IUPAC name is tris(1H-inden-1-ide);lanthanum(3+).

Molecular Properties

Compound Nametris(1H-inden-1-ide);lanthanum(3+)
PubChem CID19591692
Molecular FormulaC27H21La
Molecular Weight484.37 g/mol
Exact Mass484.07
IUPAC Nametris(1H-inden-1-ide);lanthanum(3+)
SMILES[La+3].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/3C9H7.La/c3*1-2-5-9-7-3-6-8(9)4-1;/h3*1-7H;/q3*-1;+3
InChIKeyPXDXLALQIBCHDS-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.37
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tris(1H-inden-1-ide);lanthanum(3+) 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

Fluoranthene
CID 9154
9,9-Diphenylfluorene
CID 413569
9,9'-Bifluorene
CID 137063
9H-Fluorene, 9-(9H-fluoren-9-ylidene)-
CID 136564
9-Benzylidenefluorene
CID 137231
Fluoranthene-D10, 98 atom % D
CID 185309
Bis(indenyl)zirconium dichloride
CID 15789605
9H-Fluorene, 9-[(4-methylphenyl)methylene]-
CID 302261
Truxene
CID 68355
9H-fluorene, 9-phenyl-
CID 13091
1-(1(2H)-Acenaphthylenylidene)-1,2-dihydroacenaphthylene
CID 5378633
1H-Indene, 2,3-dihydro-1,3-dimethyl-1-(2-methyl-2-phenylpropyl)-3-phenyl-
CID 170585

Frequently Asked Questions

What is the IUPAC name of tris(1H-inden-1-ide);lanthanum(3+)?
The IUPAC name of tris(1H-inden-1-ide);lanthanum(3+) (CID 19591692) is tris(1H-inden-1-ide);lanthanum(3+).
What is the SMILES notation for tris(1H-inden-1-ide);lanthanum(3+)?
The canonical SMILES for tris(1H-inden-1-ide);lanthanum(3+) is [La+3].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of tris(1H-inden-1-ide);lanthanum(3+)?
The InChIKey is PXDXLALQIBCHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H7.La/c3*1-2-5-9-7-3-6-8(9)4-1;/h3*1-7H;/q3*-1;+3.
What are the key properties of tris(1H-inden-1-ide);lanthanum(3+)?
tris(1H-inden-1-ide);lanthanum(3+) has a molecular weight of 484.37 g/mol, XLogP of 7.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1H-inden-1-ide);lanthanum(3+) is sourced from PubChem (CID 19591692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).