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

IUPACcarbanide;cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dichlorozirconium(2+)
SMILESCC(C)(C)OCCCCCC[Si](C)(C1C=CC=C1)C1c2ccccc2-c2ccccc21.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=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
InChIKeyNDHIHSFTVSFYHN-UHFFFAOYSA-L
MW622.91 g/mol
LogP10.57
Rot. Bonds9

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 Namecarbanide;cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dichlorozirconium(2+)
PubChem CID159748009
Molecular FormulaC31H44Cl2OSiZr
Molecular Weight622.91 g/mol
Exact Mass620.16
IUPAC Namecarbanide;cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;dichlorozirconium(2+)
SMILESCC(C)(C)OCCCCCC[Si](C)(C1C=CC=C1)C1c2ccccc2-c2ccccc21.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=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
InChIKeyNDHIHSFTVSFYHN-UHFFFAOYSA-L
XLogP10.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.91
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).