carbanide;4-(2,3-dimethylphenyl)-1-[2-[4-(2,3-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;hafnium(4+)

C41H64Hf — CID 162285135

IUPACcarbanide;4-(2,3-dimethylphenyl)-1-[2-[4-(2,3-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;hafnium(4+)
SMILESCc1cccc(C2CCCC3C2CCC3C(C)(C)C2CCC3C(c4cccc(C)c4C)CCCC32)c1C.[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/C37H52.4CH3.Hf/c1-23-11-7-13-27(25(23)3)29-15-9-17-33-31(29)19-21-35(33)37(5,6)36-22-20-32-30(16-10-18-34(32)36)28-14-8-12-24(2)26(28)4;;;;;/h7-8,11-14,29-36H,9-10,15-22H2,1-6H3;4*1H3;/q;4*-1;+4
InChIKeyFGXHFGCRZQQBJJ-UHFFFAOYSA-N
MW735.45 g/mol
LogP12.27
Rot. Bonds4

About carbanide;4-(2,3-dimethylphenyl)-1-[2-[4-(2,3-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;hafnium(4+)

carbanide;4-(2,3-dimethylphenyl)-1-[2-[4-(2,3-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;hafnium(4+) (PubChem CID 162285135) has the molecular formula C41H64Hf and a molecular weight of 735.45 g/mol. Its IUPAC name is carbanide;4-(2,3-dimethylphenyl)-1-[2-[4-(2,3-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;hafnium(4+).

Molecular Properties

Compound Namecarbanide;4-(2,3-dimethylphenyl)-1-[2-[4-(2,3-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;hafnium(4+)
PubChem CID162285135
Molecular FormulaC41H64Hf
Molecular Weight735.45 g/mol
Exact Mass736.45
IUPAC Namecarbanide;4-(2,3-dimethylphenyl)-1-[2-[4-(2,3-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;hafnium(4+)
SMILESCc1cccc(C2CCCC3C2CCC3C(C)(C)C2CCC3C(c4cccc(C)c4C)CCCC32)c1C.[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/C37H52.4CH3.Hf/c1-23-11-7-13-27(25(23)3)29-15-9-17-33-31(29)19-21-35(33)37(5,6)36-22-20-32-30(16-10-18-34(32)36)28-14-8-12-24(2)26(28)4;;;;;/h7-8,11-14,29-36H,9-10,15-22H2,1-6H3;4*1H3;/q;4*-1;+4
InChIKeyFGXHFGCRZQQBJJ-UHFFFAOYSA-N
XLogP12.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.45
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;4-(2,3-dimethylphenyl)-1-[2-[4-(2,3-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;hafnium(4+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;4-(2,3-dimethylphenyl)-1-[2-[4-(2,3-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;hafnium(4+)?
The IUPAC name of carbanide;4-(2,3-dimethylphenyl)-1-[2-[4-(2,3-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;hafnium(4+) (CID 162285135) is carbanide;4-(2,3-dimethylphenyl)-1-[2-[4-(2,3-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;hafnium(4+).
What is the SMILES notation for carbanide;4-(2,3-dimethylphenyl)-1-[2-[4-(2,3-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;hafnium(4+)?
The canonical SMILES for carbanide;4-(2,3-dimethylphenyl)-1-[2-[4-(2,3-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;hafnium(4+) is Cc1cccc(C2CCCC3C2CCC3C(C)(C)C2CCC3C(c4cccc(C)c4C)CCCC32)c1C.[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4].
What is the InChIKey of carbanide;4-(2,3-dimethylphenyl)-1-[2-[4-(2,3-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;hafnium(4+)?
The InChIKey is FGXHFGCRZQQBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H52.4CH3.Hf/c1-23-11-7-13-27(25(23)3)29-15-9-17-33-31(29)19-21-35(33)37(5,6)36-22-20-32-30(16-10-18-34(32)36)28-14-8-12-24(2)26(28)4;;;;;/h7-8,11-14,29-36H,9-10,15-22H2,1-6H3;4*1H3;/q;4*-1;+4.
What are the key properties of carbanide;4-(2,3-dimethylphenyl)-1-[2-[4-(2,3-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;hafnium(4+)?
carbanide;4-(2,3-dimethylphenyl)-1-[2-[4-(2,3-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;hafnium(4+) has a molecular weight of 735.45 g/mol, XLogP of 12.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-(2,3-dimethylphenyl)-1-[2-[4-(2,3-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;hafnium(4+) is sourced from PubChem (CID 162285135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).