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

C32H53Cl2NSiZr — CID 162298520

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

carbanide;cyclopentyl-dimethyl-[8-methyl-5-(4-methylphenyl)-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]silane;dichlorozirconium(2+) (PubChem CID 162298520) has the molecular formula C32H53Cl2NSiZr and a molecular weight of 642.00 g/mol. Its IUPAC name is carbanide;cyclopentyl-dimethyl-[8-methyl-5-(4-methylphenyl)-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]silane;dichlorozirconium(2+).

Molecular Properties

• Compound Name: carbanide;cyclopentyl-dimethyl-[8-methyl-5-(4-methylphenyl)-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]silane;dichlorozirconium(2+)
• PubChem CID: 162298520
• Molecular Formula: C32H53Cl2NSiZr
• Molecular Weight: 642.00 g/mol
• Exact Mass: 639.24
• IUPAC Name: carbanide;cyclopentyl-dimethyl-[8-methyl-5-(4-methylphenyl)-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]silane;dichlorozirconium(2+)
• SMILES: Cc1ccc(N2C3CCC(C)CC3C3C2C2CCCCC2C3[Si](C)(C)C2CCCC2)cc1.Cl[Zr+2]Cl.[CH3-].[CH3-]
• InChI: InChI=1S/C30H47NSi.2CH3.2ClH.Zr/c1-20-13-16-22(17-14-20)31-27-18-15-21(2)19-26(27)28-29(31)24-11-7-8-12-25(24)30(28)32(3,4)23-9-5-6-10-23;;;;;/h13-14,16-17,21,23-30H,5-12,15,18-19H2,1-4H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
• InChIKey: JIGHPOXMLWNTIB-UHFFFAOYSA-L
• XLogP: 10.72
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	642.00
LogP ≤ 5	10.72
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;cyclopentyl-dimethyl-[8-methyl-5-(4-methylphenyl)-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]silane;dichlorozirconium(2+)?

The IUPAC name of carbanide;cyclopentyl-dimethyl-[8-methyl-5-(4-methylphenyl)-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]silane;dichlorozirconium(2+) (CID 162298520) is carbanide;cyclopentyl-dimethyl-[8-methyl-5-(4-methylphenyl)-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]silane;dichlorozirconium(2+).

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

The canonical SMILES for carbanide;cyclopentyl-dimethyl-[8-methyl-5-(4-methylphenyl)-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]silane;dichlorozirconium(2+) is Cc1ccc(N2C3CCC(C)CC3C3C2C2CCCCC2C3[Si](C)(C)C2CCCC2)cc1.Cl[Zr+2]Cl.[CH3-].[CH3-].

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

The InChIKey is JIGHPOXMLWNTIB-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H47NSi.2CH3.2ClH.Zr/c1-20-13-16-22(17-14-20)31-27-18-15-21(2)19-26(27)28-29(31)24-11-7-8-12-25(24)30(28)32(3,4)23-9-5-6-10-23;;;;;/h13-14,16-17,21,23-30H,5-12,15,18-19H2,1-4H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2.

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

carbanide;cyclopentyl-dimethyl-[8-methyl-5-(4-methylphenyl)-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]silane;dichlorozirconium(2+) has a molecular weight of 642.00 g/mol, XLogP of 10.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;cyclopentyl-dimethyl-[8-methyl-5-(4-methylphenyl)-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]silane;dichlorozirconium(2+) is sourced from PubChem (CID 162298520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).