bis(bis(4,6-dichloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);carbanide;dichlorozirconium(2+);phenyl(3-phenylazanidylpropyl)azanide;zirconium(4+)

C63H100Cl10N2Si2Zr2 — CID 162298256

IUPACbis(bis(4,6-dichloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);carbanide;dichlorozirconium(2+);phenyl(3-phenylazanidylpropyl)azanide;zirconium(4+)
SMILESCC1CC2C(Cl)CC(Cl)CC2C1[Si](C)(C)C1C(C)CC2C(Cl)CC(Cl)CC21.CC1CC2C(Cl)CC(Cl)CC2C1[Si](C)(C)C1C(C)CC2C(Cl)CC(Cl)CC21.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4].c1ccc([N-]CCC[N-]c2ccccc2)cc1
InChIInChI=1S/2C22H36Cl4Si.C15H16N2.4CH3.2ClH.2Zr/c2*1-11-5-15-17(7-13(23)9-19(15)25)21(11)27(3,4)22-12(2)6-16-18(22)8-14(24)10-20(16)26;1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;;;;;;;;/h2*11-22H,5-10H2,1-4H3;1-6,8-11H,7,12-13H2;4*1H3;2*1H;;/q;;-2;4*-1;;;2*+4/p-2
InChIKeyKLBBXZYVWPAQTQ-UHFFFAOYSA-L
MW1478.66 g/mol
LogP23.96
Rot. Bonds10

About bis(bis(4,6-dichloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);carbanide;dichlorozirconium(2+);phenyl(3-phenylazanidylpropyl)azanide;zirconium(4+)

bis(bis(4,6-dichloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);carbanide;dichlorozirconium(2+);phenyl(3-phenylazanidylpropyl)azanide;zirconium(4+) (PubChem CID 162298256) has the molecular formula C63H100Cl10N2Si2Zr2 and a molecular weight of 1478.66 g/mol. Its IUPAC name is bis(bis(4,6-dichloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);carbanide;dichlorozirconium(2+);phenyl(3-phenylazanidylpropyl)azanide;zirconium(4+).

Molecular Properties

Compound Namebis(bis(4,6-dichloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);carbanide;dichlorozirconium(2+);phenyl(3-phenylazanidylpropyl)azanide;zirconium(4+)
PubChem CID162298256
Molecular FormulaC63H100Cl10N2Si2Zr2
Molecular Weight1478.66 g/mol
Exact Mass1470.24
IUPAC Namebis(bis(4,6-dichloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);carbanide;dichlorozirconium(2+);phenyl(3-phenylazanidylpropyl)azanide;zirconium(4+)
SMILESCC1CC2C(Cl)CC(Cl)CC2C1[Si](C)(C)C1C(C)CC2C(Cl)CC(Cl)CC21.CC1CC2C(Cl)CC(Cl)CC2C1[Si](C)(C)C1C(C)CC2C(Cl)CC(Cl)CC21.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4].c1ccc([N-]CCC[N-]c2ccccc2)cc1
InChIInChI=1S/2C22H36Cl4Si.C15H16N2.4CH3.2ClH.2Zr/c2*1-11-5-15-17(7-13(23)9-19(15)25)21(11)27(3,4)22-12(2)6-16-18(22)8-14(24)10-20(16)26;1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;;;;;;;;/h2*11-22H,5-10H2,1-4H3;1-6,8-11H,7,12-13H2;4*1H3;2*1H;;/q;;-2;4*-1;;;2*+4/p-2
InChIKeyKLBBXZYVWPAQTQ-UHFFFAOYSA-L
XLogP23.96
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001478.66
LogP ≤ 523.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(bis(4,6-dichloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);carbanide;dichlorozirconium(2+);phenyl(3-phenylazanidylpropyl)azanide;zirconium(4+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(bis(4,6-dichloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);carbanide;dichlorozirconium(2+);phenyl(3-phenylazanidylpropyl)azanide;zirconium(4+)?
The IUPAC name of bis(bis(4,6-dichloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);carbanide;dichlorozirconium(2+);phenyl(3-phenylazanidylpropyl)azanide;zirconium(4+) (CID 162298256) is bis(bis(4,6-dichloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);carbanide;dichlorozirconium(2+);phenyl(3-phenylazanidylpropyl)azanide;zirconium(4+).
What is the SMILES notation for bis(bis(4,6-dichloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);carbanide;dichlorozirconium(2+);phenyl(3-phenylazanidylpropyl)azanide;zirconium(4+)?
The canonical SMILES for bis(bis(4,6-dichloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);carbanide;dichlorozirconium(2+);phenyl(3-phenylazanidylpropyl)azanide;zirconium(4+) is CC1CC2C(Cl)CC(Cl)CC2C1[Si](C)(C)C1C(C)CC2C(Cl)CC(Cl)CC21.CC1CC2C(Cl)CC(Cl)CC2C1[Si](C)(C)C1C(C)CC2C(Cl)CC(Cl)CC21.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4].c1ccc([N-]CCC[N-]c2ccccc2)cc1.
What is the InChIKey of bis(bis(4,6-dichloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);carbanide;dichlorozirconium(2+);phenyl(3-phenylazanidylpropyl)azanide;zirconium(4+)?
The InChIKey is KLBBXZYVWPAQTQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C22H36Cl4Si.C15H16N2.4CH3.2ClH.2Zr/c2*1-11-5-15-17(7-13(23)9-19(15)25)21(11)27(3,4)22-12(2)6-16-18(22)8-14(24)10-20(16)26;1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;;;;;;;;/h2*11-22H,5-10H2,1-4H3;1-6,8-11H,7,12-13H2;4*1H3;2*1H;;/q;;-2;4*-1;;;2*+4/p-2.
What are the key properties of bis(bis(4,6-dichloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);carbanide;dichlorozirconium(2+);phenyl(3-phenylazanidylpropyl)azanide;zirconium(4+)?
bis(bis(4,6-dichloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);carbanide;dichlorozirconium(2+);phenyl(3-phenylazanidylpropyl)azanide;zirconium(4+) has a molecular weight of 1478.66 g/mol, XLogP of 23.96, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(4,6-dichloro-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)-dimethylsilane);carbanide;dichlorozirconium(2+);phenyl(3-phenylazanidylpropyl)azanide;zirconium(4+) is sourced from PubChem (CID 162298256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).