cyclopenta-1,3-diene;1H-inden-1-ide;propan-2-ylidenehafnium(2+);dibromide

C17H18Br2Hf-2 — CID 22121693

IUPACcyclopenta-1,3-diene;1H-inden-1-ide;propan-2-ylidenehafnium(2+);dibromide
SMILESCC(C)=[Hf+2].[Br-].[Br-].[C-]1=CC=CC1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.C3H6.2BrH.Hf/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;1-3-2;;;/h1-7H;1-3H,4H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyODHJPOBKZCTVSM-UHFFFAOYSA-L
MW560.63 g/mol
LogP-1.38
Rot. Bonds

About cyclopenta-1,3-diene;1H-inden-1-ide;propan-2-ylidenehafnium(2+);dibromide

cyclopenta-1,3-diene;1H-inden-1-ide;propan-2-ylidenehafnium(2+);dibromide (PubChem CID 22121693) has the molecular formula C17H18Br2Hf-2 and a molecular weight of 560.63 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1H-inden-1-ide;propan-2-ylidenehafnium(2+);dibromide.

Molecular Properties

Compound Namecyclopenta-1,3-diene;1H-inden-1-ide;propan-2-ylidenehafnium(2+);dibromide
PubChem CID22121693
Molecular FormulaC17H18Br2Hf-2
Molecular Weight560.63 g/mol
Exact Mass559.93
IUPAC Namecyclopenta-1,3-diene;1H-inden-1-ide;propan-2-ylidenehafnium(2+);dibromide
SMILESCC(C)=[Hf+2].[Br-].[Br-].[C-]1=CC=CC1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.C3H6.2BrH.Hf/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;1-3-2;;;/h1-7H;1-3H,4H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyODHJPOBKZCTVSM-UHFFFAOYSA-L
XLogP-1.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.63
LogP ≤ 5-1.38
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

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carbanide;cyclopenta-1,3-diene;dichlorozirconium;1H-inden-1-ide;zirconium(3+);dichloride
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benzene;carbanide;cyclopenta-1,3-diene;hafnium;1H-inden-1-ide
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cyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride
CID 87337244
CID 87936551
CID 87936551
carbanide;cyclopenta-1,3-diene;dichlorozirconium;9-(9H-fluoren-9-yl)-9H-fluorene;1H-inden-1-ide;zirconium(3+);dichloride
CID 19077893

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;1H-inden-1-ide;propan-2-ylidenehafnium(2+);dibromide?
The IUPAC name of cyclopenta-1,3-diene;1H-inden-1-ide;propan-2-ylidenehafnium(2+);dibromide (CID 22121693) is cyclopenta-1,3-diene;1H-inden-1-ide;propan-2-ylidenehafnium(2+);dibromide.
What is the SMILES notation for cyclopenta-1,3-diene;1H-inden-1-ide;propan-2-ylidenehafnium(2+);dibromide?
The canonical SMILES for cyclopenta-1,3-diene;1H-inden-1-ide;propan-2-ylidenehafnium(2+);dibromide is CC(C)=[Hf+2].[Br-].[Br-].[C-]1=CC=CC1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of cyclopenta-1,3-diene;1H-inden-1-ide;propan-2-ylidenehafnium(2+);dibromide?
The InChIKey is ODHJPOBKZCTVSM-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7.C5H5.C3H6.2BrH.Hf/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;1-3-2;;;/h1-7H;1-3H,4H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;1H-inden-1-ide;propan-2-ylidenehafnium(2+);dibromide?
cyclopenta-1,3-diene;1H-inden-1-ide;propan-2-ylidenehafnium(2+);dibromide has a molecular weight of 560.63 g/mol, XLogP of -1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;1H-inden-1-ide;propan-2-ylidenehafnium(2+);dibromide is sourced from PubChem (CID 22121693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).