carbanide;bis(2,3-dimethyl-1H-inden-1-ide);ethene;zirconium(4+)

C26H32Zr — CID 161032524

IUPACcarbanide;bis(2,3-dimethyl-1H-inden-1-ide);ethene;zirconium(4+)
SMILESC=C.Cc1[cH-]c2ccccc2c1C.Cc1[cH-]c2ccccc2c1C.[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/2C11H11.C2H4.2CH3.Zr/c2*1-8-7-10-5-3-4-6-11(10)9(8)2;1-2;;;/h2*3-7H,1-2H3;1-2H2;2*1H3;/q2*-1;;2*-1;+4
InChIKeyXHMUBWYLLZRRJX-UHFFFAOYSA-N
MW435.77 g/mol
LogP8.05
Rot. Bonds

About carbanide;bis(2,3-dimethyl-1H-inden-1-ide);ethene;zirconium(4+)

carbanide;bis(2,3-dimethyl-1H-inden-1-ide);ethene;zirconium(4+) (PubChem CID 161032524) has the molecular formula C26H32Zr and a molecular weight of 435.77 g/mol. Its IUPAC name is carbanide;bis(2,3-dimethyl-1H-inden-1-ide);ethene;zirconium(4+).

Molecular Properties

Compound Namecarbanide;bis(2,3-dimethyl-1H-inden-1-ide);ethene;zirconium(4+)
PubChem CID161032524
Molecular FormulaC26H32Zr
Molecular Weight435.77 g/mol
Exact Mass434.16
IUPAC Namecarbanide;bis(2,3-dimethyl-1H-inden-1-ide);ethene;zirconium(4+)
SMILESC=C.Cc1[cH-]c2ccccc2c1C.Cc1[cH-]c2ccccc2c1C.[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/2C11H11.C2H4.2CH3.Zr/c2*1-8-7-10-5-3-4-6-11(10)9(8)2;1-2;;;/h2*3-7H,1-2H3;1-2H2;2*1H3;/q2*-1;;2*-1;+4
InChIKeyXHMUBWYLLZRRJX-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.77
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;bis(2,3-dimethyl-1H-inden-1-ide);ethene;zirconium(4+) 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

CID 172782986
CID 172782986
bis(benzhydrylidenetitanium(2+));tetrakis(2,3-dimethyl-1H-inden-1-ide);dichloride
CID 22672381
CID 173271921
CID 173271921
2,3-dimethyl-1H-inden-1-ide;1H-inden-1-ide;silylidenetitanium(2+)
CID 161494511
dichlorozirconium(2+);9H-fluoren-9-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 169048347
3-methyl-2-[2-(3-methyl-1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide;zirconium(4+);dichloride
CID 22601087
CID 173472771
CID 173472771
CID 87865557
CID 87865557
ethane;bis(9H-fluoren-9-ide);zirconium(2+)
CID 23215639
lithium 1,2-dimethyl-9H-fluoren-9-ide
CID 175514215
CID 175049337
CID 175049337
butane;bis(2-methyl-3-propan-2-yl-1H-inden-1-ide);zirconium(4+);dihydrochloride
CID 87935095

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(2,3-dimethyl-1H-inden-1-ide);ethene;zirconium(4+)?
The IUPAC name of carbanide;bis(2,3-dimethyl-1H-inden-1-ide);ethene;zirconium(4+) (CID 161032524) is carbanide;bis(2,3-dimethyl-1H-inden-1-ide);ethene;zirconium(4+).
What is the SMILES notation for carbanide;bis(2,3-dimethyl-1H-inden-1-ide);ethene;zirconium(4+)?
The canonical SMILES for carbanide;bis(2,3-dimethyl-1H-inden-1-ide);ethene;zirconium(4+) is C=C.Cc1[cH-]c2ccccc2c1C.Cc1[cH-]c2ccccc2c1C.[CH3-].[CH3-].[Zr+4].
What is the InChIKey of carbanide;bis(2,3-dimethyl-1H-inden-1-ide);ethene;zirconium(4+)?
The InChIKey is XHMUBWYLLZRRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H11.C2H4.2CH3.Zr/c2*1-8-7-10-5-3-4-6-11(10)9(8)2;1-2;;;/h2*3-7H,1-2H3;1-2H2;2*1H3;/q2*-1;;2*-1;+4.
What are the key properties of carbanide;bis(2,3-dimethyl-1H-inden-1-ide);ethene;zirconium(4+)?
carbanide;bis(2,3-dimethyl-1H-inden-1-ide);ethene;zirconium(4+) has a molecular weight of 435.77 g/mol, XLogP of 8.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(2,3-dimethyl-1H-inden-1-ide);ethene;zirconium(4+) is sourced from PubChem (CID 161032524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).