[4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride

C24H27Cl2HfSi- — CID 22375891

IUPAC[4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride
SMILESCC(C)=[Hf+2].C[Si](C)(C)C1=CCC(c2cccc3c2[cH-]c2ccccc23)=C1.[Cl-].[Cl-]
InChIInChI=1S/C21H21Si.C3H6.2ClH.Hf/c1-22(2,3)17-12-11-16(13-17)19-9-6-10-20-18-8-5-4-7-15(18)14-21(19)20;1-3-2;;;/h4-10,12-14H,11H2,1-3H3;1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyOZWSQXQNSXPGQF-UHFFFAOYSA-L
MW592.96 g/mol
LogP1.06
Rot. Bonds2

About [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride

[4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride (PubChem CID 22375891) has the molecular formula C24H27Cl2HfSi- and a molecular weight of 592.96 g/mol. Its IUPAC name is [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride.

Molecular Properties

Compound Name[4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride
PubChem CID22375891
Molecular FormulaC24H27Cl2HfSi-
Molecular Weight592.96 g/mol
Exact Mass593.07
IUPAC Name[4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride
SMILESCC(C)=[Hf+2].C[Si](C)(C)C1=CCC(c2cccc3c2[cH-]c2ccccc23)=C1.[Cl-].[Cl-]
InChIInChI=1S/C21H21Si.C3H6.2ClH.Hf/c1-22(2,3)17-12-11-16(13-17)19-9-6-10-20-18-8-5-4-7-15(18)14-21(19)20;1-3-2;;;/h4-10,12-14H,11H2,1-3H3;1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyOZWSQXQNSXPGQF-UHFFFAOYSA-L
XLogP1.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.96
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride 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 173060796
CID 173060796
benzhydrylidenezirconium(2+);1-(3-ethylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide;dichloride
CID 87161796
CID 173060777
CID 173060777
CID 173115511
CID 173115511
1-(2-methylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide;zirconium(3+);dichloride
CID 87394466
cyclopenta-1,4-dien-1-yl(trimethyl)silane;9H-fluoren-9-ide;propan-2-ylidenezirconium(2+);dichloride
CID 87141014
cyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride
CID 87337244
[1-(9H-fluoren-9-id-1-yl)-3-methoxy-1H-inden-2-yl]oxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride
CID 87935893
di(propan-2-ylidene)zirconium;1-(3-methyl-5-phenylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide
CID 173239679
2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride
CID 87935870
ethylidenezirconium(2+);1-[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]propan-2-yloxy-trimethylsilane;dichloride
CID 87936336
CID 87936452
CID 87936452

Frequently Asked Questions

What is the IUPAC name of [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride?
The IUPAC name of [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride (CID 22375891) is [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride.
What is the SMILES notation for [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride?
The canonical SMILES for [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride is CC(C)=[Hf+2].C[Si](C)(C)C1=CCC(c2cccc3c2[cH-]c2ccccc23)=C1.[Cl-].[Cl-].
What is the InChIKey of [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride?
The InChIKey is OZWSQXQNSXPGQF-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H21Si.C3H6.2ClH.Hf/c1-22(2,3)17-12-11-16(13-17)19-9-6-10-20-18-8-5-4-7-15(18)14-21(19)20;1-3-2;;;/h4-10,12-14H,11H2,1-3H3;1-2H3;2*1H;/q-1;;;;+2/p-2.
What are the key properties of [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride?
[4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride has a molecular weight of 592.96 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride is sourced from PubChem (CID 22375891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).