carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide

C16H18Hf — CID 148548337

IUPACcarbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide
SMILES[CH3-].[CH3-].[Hf+4].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.2CH3.Hf/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;/h1-7H;1-5H;2*1H3;/q4*-1;+4
InChIKeyMSEKPJXEJKIXAM-UHFFFAOYSA-N
MW388.81 g/mol
LogP4.86
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide

carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide (PubChem CID 148548337) has the molecular formula C16H18Hf and a molecular weight of 388.81 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide
PubChem CID148548337
Molecular FormulaC16H18Hf
Molecular Weight388.81 g/mol
Exact Mass390.09
IUPAC Namecarbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide
SMILES[CH3-].[CH3-].[Hf+4].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C9H7.C5H5.2CH3.Hf/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;/h1-7H;1-5H;2*1H3;/q4*-1;+4
InChIKeyMSEKPJXEJKIXAM-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 54.86
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

carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;iron
CID 176655072
carbanide;cyclopenta-1,3-diene;1H-inden-1-ide;titanium(4+)
CID 15303001
cyclopenta-1,3-diene;1H-inden-1-ide;titanium(2+)
CID 154419987
cyclopenta-1,3-diene;1H-inden-1-ide;zirconium(4+)
CID 175934824
cyclopenta-1,3-diene;difluorozirconium(2+);1H-inden-1-ide
CID 141083945
cyclopenta-1,3-diene;dichlorozirconium(2+);1H-inden-1-ide
CID 15397844
carbanide;1H-inden-1-ide;titanium(3+);trichloride
CID 157275442
cyclopenta-1,3-diene;dimethylgermylidenezirconium(2+);1H-inden-1-ide;dichloride
CID 158276689
1H-inden-1-ide;titanium;dihydrochloride
CID 87738152
1H-inden-1-ide;titanium(3+);difluoride
CID 87792956
magnesium;1H-inden-1-ide;bromide
CID 12823996
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360

Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide?
The IUPAC name of carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide (CID 148548337) is carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide is [CH3-].[CH3-].[Hf+4].c1cc[cH-]c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide?
The InChIKey is MSEKPJXEJKIXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7.C5H5.2CH3.Hf/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-5-3-1;;;/h1-7H;1-5H;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide?
carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide has a molecular weight of 388.81 g/mol, XLogP of 4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;hafnium(4+);1H-inden-1-ide is sourced from PubChem (CID 148548337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).