carbanide;hafnium;hafnium(4+);bis(2-methyl-1H-inden-1-ide);propane

C27H37Hf2-3 — CID 173263871

IUPACcarbanide;hafnium;hafnium(4+);bis(2-methyl-1H-inden-1-ide);propane
SMILESC[CH-]C.Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4].[Hf]
InChIInChI=1S/2C10H9.C3H7.4CH3.2Hf/c2*1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;;;;;;/h2*2-7H,1H3;3H,1-2H3;4*1H3;;/q7*-1;;+4
InChIKeyBFOYSOGKHLZKHG-UHFFFAOYSA-N
MW718.57 g/mol
LogP8.76
Rot. Bonds

About carbanide;hafnium;hafnium(4+);bis(2-methyl-1H-inden-1-ide);propane

carbanide;hafnium;hafnium(4+);bis(2-methyl-1H-inden-1-ide);propane (PubChem CID 173263871) has the molecular formula C27H37Hf2-3 and a molecular weight of 718.57 g/mol. Its IUPAC name is carbanide;hafnium;hafnium(4+);bis(2-methyl-1H-inden-1-ide);propane.

Molecular Properties

Compound Namecarbanide;hafnium;hafnium(4+);bis(2-methyl-1H-inden-1-ide);propane
PubChem CID173263871
Molecular FormulaC27H37Hf2-3
Molecular Weight718.57 g/mol
Exact Mass721.18
IUPAC Namecarbanide;hafnium;hafnium(4+);bis(2-methyl-1H-inden-1-ide);propane
SMILESC[CH-]C.Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4].[Hf]
InChIInChI=1S/2C10H9.C3H7.4CH3.2Hf/c2*1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;;;;;;/h2*2-7H,1H3;3H,1-2H3;4*1H3;;/q7*-1;;+4
InChIKeyBFOYSOGKHLZKHG-UHFFFAOYSA-N
XLogP8.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.57
LogP ≤ 58.76
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

CID 157447863
CID 157447863
chromium(2+);bis(2-methyl-1H-inden-1-ide)
CID 139887885
2-methyl-1H-inden-1-ide;praseodymium
CID 150206996
CID 87864757
CID 87864757
carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide)
CID 173290342
ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 157150414
CID 87108807
CID 87108807
meso-Dimethylsilyl-bis-(2-methylindenyl)zirconium dichloride
CID 132989110
CID 159549239
CID 159549239
CID 87107737
CID 87107737
CID 173266362
CID 173266362
CID 173182424
CID 173182424

Frequently Asked Questions

What is the IUPAC name of carbanide;hafnium;hafnium(4+);bis(2-methyl-1H-inden-1-ide);propane?
The IUPAC name of carbanide;hafnium;hafnium(4+);bis(2-methyl-1H-inden-1-ide);propane (CID 173263871) is carbanide;hafnium;hafnium(4+);bis(2-methyl-1H-inden-1-ide);propane.
What is the SMILES notation for carbanide;hafnium;hafnium(4+);bis(2-methyl-1H-inden-1-ide);propane?
The canonical SMILES for carbanide;hafnium;hafnium(4+);bis(2-methyl-1H-inden-1-ide);propane is C[CH-]C.Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4].[Hf].
What is the InChIKey of carbanide;hafnium;hafnium(4+);bis(2-methyl-1H-inden-1-ide);propane?
The InChIKey is BFOYSOGKHLZKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9.C3H7.4CH3.2Hf/c2*1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;;;;;;/h2*2-7H,1H3;3H,1-2H3;4*1H3;;/q7*-1;;+4.
What are the key properties of carbanide;hafnium;hafnium(4+);bis(2-methyl-1H-inden-1-ide);propane?
carbanide;hafnium;hafnium(4+);bis(2-methyl-1H-inden-1-ide);propane has a molecular weight of 718.57 g/mol, XLogP of 8.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;hafnium;hafnium(4+);bis(2-methyl-1H-inden-1-ide);propane is sourced from PubChem (CID 173263871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).