carbanide;dichlorozirconium(2+);(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethyl-(2-methylcyclopentyl)silane

C26H47Cl2NSiZr — CID 58885691

About carbanide;dichlorozirconium(2+);(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethyl-(2-methylcyclopentyl)silane

carbanide;dichlorozirconium(2+);(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethyl-(2-methylcyclopentyl)silane (PubChem CID 58885691) has the molecular formula C26H47Cl2NSiZr and a molecular weight of 563.89 g/mol. Its IUPAC name is carbanide;dichlorozirconium(2+);(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethyl-(2-methylcyclopentyl)silane.

Molecular Properties

• Compound Name: carbanide;dichlorozirconium(2+);(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethyl-(2-methylcyclopentyl)silane
• PubChem CID: 58885691
• Molecular Formula: C26H47Cl2NSiZr
• Molecular Weight: 563.89 g/mol
• Exact Mass: 561.19
• IUPAC Name: carbanide;dichlorozirconium(2+);(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethyl-(2-methylcyclopentyl)silane
• SMILES: C[C-]1CCCC1[Si](C)(C)C1C2CCCCC2C2C3CC(C)CCC3N(C)C21.Cl[Zr+2]Cl.[CH3-]
• InChI: InChI=1S/C25H44NSi.CH3.2ClH.Zr/c1-16-13-14-21-20(15-16)23-18-10-6-7-11-19(18)25(24(23)26(21)3)27(4,5)22-12-8-9-17(22)2;;;;/h16,18-25H,6-15H2,1-5H3;1H3;2*1H;/q2*-1;;;+4/p-2
• InChIKey: QWICIVKCCMLUPH-UHFFFAOYSA-L
• XLogP: 8.60
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.89
LogP ≤ 5	8.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;dichlorozirconium(2+);(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethyl-(2-methylcyclopentyl)silane?

The IUPAC name of carbanide;dichlorozirconium(2+);(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethyl-(2-methylcyclopentyl)silane (CID 58885691) is carbanide;dichlorozirconium(2+);(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethyl-(2-methylcyclopentyl)silane.

What is the SMILES notation for carbanide;dichlorozirconium(2+);(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethyl-(2-methylcyclopentyl)silane?

The canonical SMILES for carbanide;dichlorozirconium(2+);(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethyl-(2-methylcyclopentyl)silane is C[C-]1CCCC1[Si](C)(C)C1C2CCCCC2C2C3CC(C)CCC3N(C)C21.Cl[Zr+2]Cl.[CH3-].

What is the InChIKey of carbanide;dichlorozirconium(2+);(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethyl-(2-methylcyclopentyl)silane?

The InChIKey is QWICIVKCCMLUPH-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H44NSi.CH3.2ClH.Zr/c1-16-13-14-21-20(15-16)23-18-10-6-7-11-19(18)25(24(23)26(21)3)27(4,5)22-12-8-9-17(22)2;;;;/h16,18-25H,6-15H2,1-5H3;1H3;2*1H;/q2*-1;;;+4/p-2.

What are the key properties of carbanide;dichlorozirconium(2+);(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethyl-(2-methylcyclopentyl)silane?

carbanide;dichlorozirconium(2+);(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethyl-(2-methylcyclopentyl)silane has a molecular weight of 563.89 g/mol, XLogP of 8.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;dichlorozirconium(2+);(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethyl-(2-methylcyclopentyl)silane is sourced from PubChem (CID 58885691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).