benzhydrylidenehafnium(2+);2-tert-butylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride

C35H32Cl2Hf-2 — CID 157122090

IUPACbenzhydrylidenehafnium(2+);2-tert-butylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride
SMILESCC(C)(C)c1cc[cH-]c1.[Cl-].[Cl-].[Hf+2]=C(c1ccccc1)c1ccccc1.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C13H10.C9H13.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-9(2,3)8-6-4-5-7-8;;;/h1-5,7-8H,9H2;1-10H;4-7H,1-3H3;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyINPJJBOJUMCGCE-UHFFFAOYSA-L
MW702.04 g/mol
LogP2.57
Rot. Bonds2

About benzhydrylidenehafnium(2+);2-tert-butylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride

benzhydrylidenehafnium(2+);2-tert-butylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride (PubChem CID 157122090) has the molecular formula C35H32Cl2Hf-2 and a molecular weight of 702.04 g/mol. Its IUPAC name is benzhydrylidenehafnium(2+);2-tert-butylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride.

Molecular Properties

Compound Namebenzhydrylidenehafnium(2+);2-tert-butylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride
PubChem CID157122090
Molecular FormulaC35H32Cl2Hf-2
Molecular Weight702.04 g/mol
Exact Mass702.14
IUPAC Namebenzhydrylidenehafnium(2+);2-tert-butylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride
SMILESCC(C)(C)c1cc[cH-]c1.[Cl-].[Cl-].[Hf+2]=C(c1ccccc1)c1ccccc1.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C13H10.C9H13.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-9(2,3)8-6-4-5-7-8;;;/h1-5,7-8H,9H2;1-10H;4-7H,1-3H3;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyINPJJBOJUMCGCE-UHFFFAOYSA-L
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500702.04
LogP ≤ 52.57
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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Related Compounds

2-tert-butylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenehafnium(2+);dichloride
CID 158553450
bis(1,9-dihydrofluoren-1-ide);1-phenylethylidenehafnium(2+)
CID 163641961
benzhydrylidenezirconium(2+);3-tert-butyl-1-methylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride
CID 157284299
benzhydrylidenezirconium(2+);3-tert-butyl-1-ethylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride
CID 131728641
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;methylidenehafnium(2+);dichloride
CID 161299506
bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride
CID 157229521
1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
CID 173274804
cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;ethene;hafnium(4+);dichloride
CID 161248960
3-tert-butyl-5-chlorophenol;1,9-dihydrofluoren-1-ide;titanium;dichloride
CID 18331565
CID 159626377
CID 159626377
benzhydrylidenezirconium(2+);2-tert-butylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride
CID 18355742
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;ethylidenezirconium(2+);dichloride
CID 160913737

Frequently Asked Questions

What is the IUPAC name of benzhydrylidenehafnium(2+);2-tert-butylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride?
The IUPAC name of benzhydrylidenehafnium(2+);2-tert-butylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride (CID 157122090) is benzhydrylidenehafnium(2+);2-tert-butylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride.
What is the SMILES notation for benzhydrylidenehafnium(2+);2-tert-butylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride?
The canonical SMILES for benzhydrylidenehafnium(2+);2-tert-butylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride is CC(C)(C)c1cc[cH-]c1.[Cl-].[Cl-].[Hf+2]=C(c1ccccc1)c1ccccc1.[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of benzhydrylidenehafnium(2+);2-tert-butylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride?
The InChIKey is INPJJBOJUMCGCE-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C13H10.C9H13.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-9(2,3)8-6-4-5-7-8;;;/h1-5,7-8H,9H2;1-10H;4-7H,1-3H3;2*1H;/q-1;;-1;;;+2/p-2.
What are the key properties of benzhydrylidenehafnium(2+);2-tert-butylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride?
benzhydrylidenehafnium(2+);2-tert-butylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride has a molecular weight of 702.04 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylidenehafnium(2+);2-tert-butylcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride is sourced from PubChem (CID 157122090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).