bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride

C72H60Cl2F4Hf2Si2-2 — CID 21261254

IUPACbis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride
SMILESCC1=[C-]CC(c2ccccc2F)=C1.CC1=[C-]CC(c2ccccc2F)=C1.CC1=[C-]CC(c2ccccc2F)=C1.CC1=[C-]CC(c2ccccc2F)=C1.[Cl-].[Cl-].[Hf+2]=[Si](c1ccccc1)c1ccccc1.[Hf+2]=[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/4C12H10F.2C12H10Si.2ClH.2Hf/c4*1-9-6-7-10(8-9)11-4-2-3-5-12(11)13;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h4*2-5,8H,7H2,1H3;2*1-10H;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyAPRFDKPMXRDCDC-UHFFFAOYSA-L
MW1485.32 g/mol
LogP10.14
Rot. Bonds8

About bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride

bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride (PubChem CID 21261254) has the molecular formula C72H60Cl2F4Hf2Si2-2 and a molecular weight of 1485.32 g/mol. Its IUPAC name is bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride.

Molecular Properties

Compound Namebis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride
PubChem CID21261254
Molecular FormulaC72H60Cl2F4Hf2Si2-2
Molecular Weight1485.32 g/mol
Exact Mass1486.25
IUPAC Namebis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride
SMILESCC1=[C-]CC(c2ccccc2F)=C1.CC1=[C-]CC(c2ccccc2F)=C1.CC1=[C-]CC(c2ccccc2F)=C1.CC1=[C-]CC(c2ccccc2F)=C1.[Cl-].[Cl-].[Hf+2]=[Si](c1ccccc1)c1ccccc1.[Hf+2]=[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/4C12H10F.2C12H10Si.2ClH.2Hf/c4*1-9-6-7-10(8-9)11-4-2-3-5-12(11)13;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h4*2-5,8H,7H2,1H3;2*1-10H;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyAPRFDKPMXRDCDC-UHFFFAOYSA-L
XLogP10.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001485.32
LogP ≤ 510.14
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'}

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Related Compounds

tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
CID 21261515
(3-methylcyclopenta-1,3-dien-1-yl)benzene;zirconium
CID 154195441
1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene
CID 21261243
2-(2-fluorophenyl)-1,3-dimethylbenzene
CID 22075461
1-fluoro-2-[2-(2-phenylphenyl)phenyl]benzene
CID 141475621
1-fluoro-2-[2-(4-methylphenyl)phenyl]benzene
CID 139250939
1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene
CID 46314099
2-(2-fluorophenyl)-3-iodo-4-methylpyridine
CID 46312841
3-(2-fluorophenyl)-2,5-dihydro-1H-pyrrole;hydrochloride
CID 68787865
2-fluoro-3-(2-fluorophenyl)-4-methylpyridine
CID 46312589
diphenylsilylidenehafnium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
CID 87676842
tetrakis(1-(3,5-dimethylcyclopenta-1,4-dien-1-yl)-2-fluorobenzene);bis(dimethylsilylidenehafnium(2+));dihydrochloride
CID 173283517

Frequently Asked Questions

What is the IUPAC name of bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride?
The IUPAC name of bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride (CID 21261254) is bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride.
What is the SMILES notation for bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride?
The canonical SMILES for bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride is CC1=[C-]CC(c2ccccc2F)=C1.CC1=[C-]CC(c2ccccc2F)=C1.CC1=[C-]CC(c2ccccc2F)=C1.CC1=[C-]CC(c2ccccc2F)=C1.[Cl-].[Cl-].[Hf+2]=[Si](c1ccccc1)c1ccccc1.[Hf+2]=[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride?
The InChIKey is APRFDKPMXRDCDC-UHFFFAOYSA-L. The full InChI is InChI=1S/4C12H10F.2C12H10Si.2ClH.2Hf/c4*1-9-6-7-10(8-9)11-4-2-3-5-12(11)13;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h4*2-5,8H,7H2,1H3;2*1-10H;2*1H;;/q4*-1;;;;;2*+2/p-2.
What are the key properties of bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride?
bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride has a molecular weight of 1485.32 g/mol, XLogP of 10.14, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diphenylsilylidenehafnium(2+));tetrakis(1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride is sourced from PubChem (CID 21261254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).