carbanide;hafnium(4+);2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide

C36H50Hf — CID 173263369

IUPACcarbanide;hafnium(4+);2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide
SMILESCc1[cH-]c2cc(C(C)C)cc(C(C)C)c2c1CCc1c(C)[cH-]c2cc(C(C)C)cc(C(C)C)c12.[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/C34H44.2CH3.Hf/c1-19(2)25-15-27-13-23(9)29(33(27)31(17-25)21(5)6)11-12-30-24(10)14-28-16-26(20(3)4)18-32(22(7)8)34(28)30;;;/h13-22H,11-12H2,1-10H3;2*1H3;/q-2;2*-1;+4
InChIKeyIEULKCFZPOQQEI-UHFFFAOYSA-N
MW661.29 g/mol
LogP11.22
Rot. Bonds7

About carbanide;hafnium(4+);2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide

carbanide;hafnium(4+);2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide (PubChem CID 173263369) has the molecular formula C36H50Hf and a molecular weight of 661.29 g/mol. Its IUPAC name is carbanide;hafnium(4+);2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide.

Molecular Properties

Compound Namecarbanide;hafnium(4+);2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide
PubChem CID173263369
Molecular FormulaC36H50Hf
Molecular Weight661.29 g/mol
Exact Mass662.34
IUPAC Namecarbanide;hafnium(4+);2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide
SMILESCc1[cH-]c2cc(C(C)C)cc(C(C)C)c2c1CCc1c(C)[cH-]c2cc(C(C)C)cc(C(C)C)c12.[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/C34H44.2CH3.Hf/c1-19(2)25-15-27-13-23(9)29(33(27)31(17-25)21(5)6)11-12-30-24(10)14-28-16-26(20(3)4)18-32(22(7)8)34(28)30;;;/h13-22H,11-12H2,1-10H3;2*1H3;/q-2;2*-1;+4
InChIKeyIEULKCFZPOQQEI-UHFFFAOYSA-N
XLogP11.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.29
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;hafnium(4+);2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide with MolForge

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Related Compounds

dimethyl-bis[2,5,7-tri(propan-2-yl)-3H-inden-3-id-1-yl]silane;zirconium(4+);dichloride
CID 87558645
carbanide;ethene;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);zirconium(3+)
CID 161496120
bis[2-ethyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]-methyl-phenylsilane;carbanide;zirconium(4+)
CID 173263471
CID 173312539
CID 173312539
CID 101233862
CID 101233862
2-(chloromethyl)-1,3,5-tri(propan-2-yl)benzene;ethane
CID 143865267
dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide)
CID 173247752
2-(3,5-dimethylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 123164700
ethyl-bis[2,4,6-tri(propan-2-yl)phenyl]silanylium
CID 102529639
CID 174379553
CID 174379553
[2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 609106
[2,4,6-tri(propan-2-yl)phenyl]borane
CID 14976181

Frequently Asked Questions

What is the IUPAC name of carbanide;hafnium(4+);2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide?
The IUPAC name of carbanide;hafnium(4+);2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide (CID 173263369) is carbanide;hafnium(4+);2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide.
What is the SMILES notation for carbanide;hafnium(4+);2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide?
The canonical SMILES for carbanide;hafnium(4+);2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide is Cc1[cH-]c2cc(C(C)C)cc(C(C)C)c2c1CCc1c(C)[cH-]c2cc(C(C)C)cc(C(C)C)c12.[CH3-].[CH3-].[Hf+4].
What is the InChIKey of carbanide;hafnium(4+);2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide?
The InChIKey is IEULKCFZPOQQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44.2CH3.Hf/c1-19(2)25-15-27-13-23(9)29(33(27)31(17-25)21(5)6)11-12-30-24(10)14-28-16-26(20(3)4)18-32(22(7)8)34(28)30;;;/h13-22H,11-12H2,1-10H3;2*1H3;/q-2;2*-1;+4.
What are the key properties of carbanide;hafnium(4+);2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide?
carbanide;hafnium(4+);2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide has a molecular weight of 661.29 g/mol, XLogP of 11.22, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;hafnium(4+);2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide is sourced from PubChem (CID 173263369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).