carbanide;ethene;bis(7-methyl-1H-inden-1-ide);zirconium(4+)

C24H28Zr — CID 159416498

IUPACcarbanide;ethene;bis(7-methyl-1H-inden-1-ide);zirconium(4+)
SMILESC=C.Cc1cccc2cc[cH-]c12.Cc1cccc2cc[cH-]c12.[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/2C10H9.C2H4.2CH3.Zr/c2*1-8-4-2-5-9-6-3-7-10(8)9;1-2;;;/h2*2-7H,1H3;1-2H2;2*1H3;/q2*-1;;2*-1;+4
InChIKeyLDIBCVYTVZRADC-UHFFFAOYSA-N
MW407.71 g/mol
LogP7.43
Rot. Bonds

About carbanide;ethene;bis(7-methyl-1H-inden-1-ide);zirconium(4+)

carbanide;ethene;bis(7-methyl-1H-inden-1-ide);zirconium(4+) (PubChem CID 159416498) has the molecular formula C24H28Zr and a molecular weight of 407.71 g/mol. Its IUPAC name is carbanide;ethene;bis(7-methyl-1H-inden-1-ide);zirconium(4+).

Molecular Properties

Compound Namecarbanide;ethene;bis(7-methyl-1H-inden-1-ide);zirconium(4+)
PubChem CID159416498
Molecular FormulaC24H28Zr
Molecular Weight407.71 g/mol
Exact Mass406.12
IUPAC Namecarbanide;ethene;bis(7-methyl-1H-inden-1-ide);zirconium(4+)
SMILESC=C.Cc1cccc2cc[cH-]c12.Cc1cccc2cc[cH-]c12.[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/2C10H9.C2H4.2CH3.Zr/c2*1-8-4-2-5-9-6-3-7-10(8)9;1-2;;;/h2*2-7H,1H3;1-2H2;2*1H3;/q2*-1;;2*-1;+4
InChIKeyLDIBCVYTVZRADC-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.71
LogP ≤ 57.43
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;ethene;bis(7-methyl-1H-inden-1-ide);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

7-methyl-1H-inden-1-ide;zirconium;dihydrochloride
CID 173231545
7-[2-(3H-inden-3-id-4-yl)ethyl]-1H-inden-1-ide;zirconium(4+);dichloride
CID 22601070
ethene;bis(1H-inden-1-ide);methanolate;zirconium(4+);chloride
CID 173230706
bis(4,7-dimethyl-1H-inden-1-ide);zirconium(4+);difluoride
CID 87203456
CID 161101077
CID 161101077
bis(4,7-dimethyl-1H-inden-1-ide);methylidenehafnium(2+);dichloride
CID 159766083
4,7-dimethyl-1H-inden-1-ide;scandium
CID 151166437
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360
1,8-dimethylnaphthalene;ethane
CID 91447117
CID 173001615
CID 173001615
chloromethane;ethane;bis(1H-inden-1-ide);zirconium(4+)
CID 172681800
CID 22311255
CID 22311255

Frequently Asked Questions

What is the IUPAC name of carbanide;ethene;bis(7-methyl-1H-inden-1-ide);zirconium(4+)?
The IUPAC name of carbanide;ethene;bis(7-methyl-1H-inden-1-ide);zirconium(4+) (CID 159416498) is carbanide;ethene;bis(7-methyl-1H-inden-1-ide);zirconium(4+).
What is the SMILES notation for carbanide;ethene;bis(7-methyl-1H-inden-1-ide);zirconium(4+)?
The canonical SMILES for carbanide;ethene;bis(7-methyl-1H-inden-1-ide);zirconium(4+) is C=C.Cc1cccc2cc[cH-]c12.Cc1cccc2cc[cH-]c12.[CH3-].[CH3-].[Zr+4].
What is the InChIKey of carbanide;ethene;bis(7-methyl-1H-inden-1-ide);zirconium(4+)?
The InChIKey is LDIBCVYTVZRADC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9.C2H4.2CH3.Zr/c2*1-8-4-2-5-9-6-3-7-10(8)9;1-2;;;/h2*2-7H,1H3;1-2H2;2*1H3;/q2*-1;;2*-1;+4.
What are the key properties of carbanide;ethene;bis(7-methyl-1H-inden-1-ide);zirconium(4+)?
carbanide;ethene;bis(7-methyl-1H-inden-1-ide);zirconium(4+) has a molecular weight of 407.71 g/mol, XLogP of 7.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethene;bis(7-methyl-1H-inden-1-ide);zirconium(4+) is sourced from PubChem (CID 159416498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).