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

C26H47Cl2NSiZr — CID 58885693

IUPACcarbanide;dichlorozirconium(2+);(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethyl-(2-methylcyclopentyl)silane
SMILESC[C-]1CCCC1[Si](C)(C)C1C2CCCCC2C2C1C1CC(C)CCC1N2C.Cl[Zr+2]Cl.[CH3-]
InChIInChI=1S/C25H44NSi.CH3.2ClH.Zr/c1-16-13-14-21-20(15-16)23-24(26(21)3)18-10-6-7-11-19(18)25(23)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
InChIKeyNXEPDHMUHLFKKQ-UHFFFAOYSA-L
MW563.89 g/mol
LogP8.60
Rot. Bonds2

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

carbanide;dichlorozirconium(2+);(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethyl-(2-methylcyclopentyl)silane (PubChem CID 58885693) has the molecular formula C26H47Cl2NSiZr and a molecular weight of 563.89 g/mol. Its IUPAC name is carbanide;dichlorozirconium(2+);(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethyl-(2-methylcyclopentyl)silane.

Molecular Properties

Compound Namecarbanide;dichlorozirconium(2+);(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethyl-(2-methylcyclopentyl)silane
PubChem CID58885693
Molecular FormulaC26H47Cl2NSiZr
Molecular Weight563.89 g/mol
Exact Mass561.19
IUPAC Namecarbanide;dichlorozirconium(2+);(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethyl-(2-methylcyclopentyl)silane
SMILESC[C-]1CCCC1[Si](C)(C)C1C2CCCCC2C2C1C1CC(C)CCC1N2C.Cl[Zr+2]Cl.[CH3-]
InChIInChI=1S/C25H44NSi.CH3.2ClH.Zr/c1-16-13-14-21-20(15-16)23-24(26(21)3)18-10-6-7-11-19(18)25(23)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
InChIKeyNXEPDHMUHLFKKQ-UHFFFAOYSA-L
XLogP8.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.89
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;dichlorozirconium(2+);(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethyl-(2-methylcyclopentyl)silane?
The IUPAC name of carbanide;dichlorozirconium(2+);(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethyl-(2-methylcyclopentyl)silane (CID 58885693) is carbanide;dichlorozirconium(2+);(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethyl-(2-methylcyclopentyl)silane.
What is the SMILES notation for carbanide;dichlorozirconium(2+);(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethyl-(2-methylcyclopentyl)silane?
The canonical SMILES for carbanide;dichlorozirconium(2+);(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethyl-(2-methylcyclopentyl)silane is C[C-]1CCCC1[Si](C)(C)C1C2CCCCC2C2C1C1CC(C)CCC1N2C.Cl[Zr+2]Cl.[CH3-].
What is the InChIKey of carbanide;dichlorozirconium(2+);(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethyl-(2-methylcyclopentyl)silane?
The InChIKey is NXEPDHMUHLFKKQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H44NSi.CH3.2ClH.Zr/c1-16-13-14-21-20(15-16)23-24(26(21)3)18-10-6-7-11-19(18)25(23)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+);(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethyl-(2-methylcyclopentyl)silane?
carbanide;dichlorozirconium(2+);(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-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+);(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethyl-(2-methylcyclopentyl)silane is sourced from PubChem (CID 58885693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).