carbanide;cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dichlorozirconium(2+)

C31H44Cl2OSiZr — CID 159748009

About carbanide;cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dichlorozirconium(2+)

carbanide;cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dichlorozirconium(2+) (PubChem CID 159748009) has the molecular formula C31H44Cl2OSiZr and a molecular weight of 622.91 g/mol. Its IUPAC name is carbanide;cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dichlorozirconium(2+).

Molecular Properties

• Compound Name: carbanide;cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dichlorozirconium(2+)
• PubChem CID: 159748009
• Molecular Formula: C31H44Cl2OSiZr
• Molecular Weight: 622.91 g/mol
• Exact Mass: 620.16
• IUPAC Name: carbanide;cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dichlorozirconium(2+)
• SMILES: CC(C)(C)OCCCCCC[Si](C)(C1C=CC=C1)C1c2ccccc2-c2ccccc21.Cl[Zr+2]Cl.[CH3-].[CH3-]
• InChI: InChI=1S/C29H38OSi.2CH3.2ClH.Zr/c1-29(2,3)30-21-13-5-6-14-22-31(4,23-15-7-8-16-23)28-26-19-11-9-17-24(26)25-18-10-12-20-27(25)28;;;;;/h7-12,15-20,23,28H,5-6,13-14,21-22H2,1-4H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
• InChIKey: NDHIHSFTVSFYHN-UHFFFAOYSA-L
• XLogP: 10.57
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.91
LogP ≤ 5	10.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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;cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dichlorozirconium(2+)?

The IUPAC name of carbanide;cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dichlorozirconium(2+) (CID 159748009) is carbanide;cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dichlorozirconium(2+).

What is the SMILES notation for carbanide;cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dichlorozirconium(2+)?

The canonical SMILES for carbanide;cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dichlorozirconium(2+) is CC(C)(C)OCCCCCC[Si](C)(C1C=CC=C1)C1c2ccccc2-c2ccccc21.Cl[Zr+2]Cl.[CH3-].[CH3-].

What is the InChIKey of carbanide;cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dichlorozirconium(2+)?

The InChIKey is NDHIHSFTVSFYHN-UHFFFAOYSA-L. The full InChI is InChI=1S/C29H38OSi.2CH3.2ClH.Zr/c1-29(2,3)30-21-13-5-6-14-22-31(4,23-15-7-8-16-23)28-26-19-11-9-17-24(26)25-18-10-12-20-27(25)28;;;;;/h7-12,15-20,23,28H,5-6,13-14,21-22H2,1-4H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2.

What are the key properties of carbanide;cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dichlorozirconium(2+)?

carbanide;cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dichlorozirconium(2+) has a molecular weight of 622.91 g/mol, XLogP of 10.57, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dichlorozirconium(2+) is sourced from PubChem (CID 159748009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).