carbanide;germylidenezirconium;bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dihydrochloride

C26H32Cl2GeZr-4 — CID 173283737

IUPACcarbanide;germylidenezirconium;bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dihydrochloride
SMILESCC1=[C-]CC(c2ccccc2)=C1.CC1=[C-]CC(c2ccccc2)=C1.Cl.Cl.[CH3-].[CH3-].[GeH2]=[Zr]
InChIInChI=1S/2C12H11.2CH3.2ClH.GeH2.Zr/c2*1-10-7-8-12(9-10)11-5-3-2-4-6-11;;;;;;/h2*2-6,9H,8H2,1H3;2*1H3;2*1H;1H2;/q4*-1;;;;
InChIKeyWFKMYHJFQVTBJE-UHFFFAOYSA-N
MW579.28 g/mol
LogP7.27
Rot. Bonds2

About carbanide;germylidenezirconium;bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dihydrochloride

carbanide;germylidenezirconium;bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dihydrochloride (PubChem CID 173283737) has the molecular formula C26H32Cl2GeZr-4 and a molecular weight of 579.28 g/mol. Its IUPAC name is carbanide;germylidenezirconium;bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dihydrochloride.

Molecular Properties

Compound Namecarbanide;germylidenezirconium;bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dihydrochloride
PubChem CID173283737
Molecular FormulaC26H32Cl2GeZr-4
Molecular Weight579.28 g/mol
Exact Mass578.02
IUPAC Namecarbanide;germylidenezirconium;bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dihydrochloride
SMILESCC1=[C-]CC(c2ccccc2)=C1.CC1=[C-]CC(c2ccccc2)=C1.Cl.Cl.[CH3-].[CH3-].[GeH2]=[Zr]
InChIInChI=1S/2C12H11.2CH3.2ClH.GeH2.Zr/c2*1-10-7-8-12(9-10)11-5-3-2-4-6-11;;;;;;/h2*2-6,9H,8H2,1H3;2*1H3;2*1H;1H2;/q4*-1;;;;
InChIKeyWFKMYHJFQVTBJE-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.28
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;germylidenezirconium;bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dihydrochloride?
The IUPAC name of carbanide;germylidenezirconium;bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dihydrochloride (CID 173283737) is carbanide;germylidenezirconium;bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dihydrochloride.
What is the SMILES notation for carbanide;germylidenezirconium;bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dihydrochloride?
The canonical SMILES for carbanide;germylidenezirconium;bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dihydrochloride is CC1=[C-]CC(c2ccccc2)=C1.CC1=[C-]CC(c2ccccc2)=C1.Cl.Cl.[CH3-].[CH3-].[GeH2]=[Zr].
What is the InChIKey of carbanide;germylidenezirconium;bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dihydrochloride?
The InChIKey is WFKMYHJFQVTBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11.2CH3.2ClH.GeH2.Zr/c2*1-10-7-8-12(9-10)11-5-3-2-4-6-11;;;;;;/h2*2-6,9H,8H2,1H3;2*1H3;2*1H;1H2;/q4*-1;;;;.
What are the key properties of carbanide;germylidenezirconium;bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dihydrochloride?
carbanide;germylidenezirconium;bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dihydrochloride has a molecular weight of 579.28 g/mol, XLogP of 7.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;germylidenezirconium;bis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dihydrochloride is sourced from PubChem (CID 173283737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).