carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane

C39H43Hf2-5 — CID 173162657

IUPACcarbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane
SMILESCCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.C[CH-]C.[CH3-].[CH3-].[Hf].[Hf]
InChIInChI=1S/2C17H15.C3H7.2CH3.2Hf/c2*1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;1-3-2;;;;/h2*3-12H,2H2,1H3;3H,1-2H3;2*1H3;;/q5*-1;;
InChIKeyZKXDYXMRMJTUPI-UHFFFAOYSA-N
MW868.75 g/mol
LogP11.70
Rot. Bonds4

About carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane

carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane (PubChem CID 173162657) has the molecular formula C39H43Hf2-5 and a molecular weight of 868.75 g/mol. Its IUPAC name is carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane.

Molecular Properties

Compound Namecarbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane
PubChem CID173162657
Molecular FormulaC39H43Hf2-5
Molecular Weight868.75 g/mol
Exact Mass871.23
IUPAC Namecarbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane
SMILESCCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.C[CH-]C.[CH3-].[CH3-].[Hf].[Hf]
InChIInChI=1S/2C17H15.C3H7.2CH3.2Hf/c2*1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;1-3-2;;;;/h2*3-12H,2H2,1H3;3H,1-2H3;2*1H3;;/q5*-1;;
InChIKeyZKXDYXMRMJTUPI-UHFFFAOYSA-N
XLogP11.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.75
LogP ≤ 511.70
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

tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride
CID 18365664
tris(2-ethyl-4-phenyl-1H-inden-1-ide);tris(zirconium(2+));trifluoride
CID 18365661
2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 22485940
CID 173162550
CID 173162550
CID 87823190
CID 87823190
dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide
CID 173177411
CID 173313790
CID 173313790
dimethylsilylidenezirconium(2+);bis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18433941
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18008267
CID 87865734
CID 87865734
dichloro(ethylidene)zirconium;bis(2-ethyl-4-phenyl-1H-inden-1-ide)
CID 87216524
dichloro(dimethylstannanylidene)zirconium;bis(2-ethyl-4-phenyl-1H-inden-1-ide)
CID 87216418

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane?
The IUPAC name of carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane (CID 173162657) is carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane.
What is the SMILES notation for carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane?
The canonical SMILES for carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane is CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(-c3ccccc3)cccc2[cH-]1.C[CH-]C.[CH3-].[CH3-].[Hf].[Hf].
What is the InChIKey of carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane?
The InChIKey is ZKXDYXMRMJTUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H15.C3H7.2CH3.2Hf/c2*1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;1-3-2;;;;/h2*3-12H,2H2,1H3;3H,1-2H3;2*1H3;;/q5*-1;;.
What are the key properties of carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane?
carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane has a molecular weight of 868.75 g/mol, XLogP of 11.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane is sourced from PubChem (CID 173162657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).