[2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl(dimethyl)silyl]-(1-methylcyclohexyl)azanide;carbanide;dichlorozirconium(2+)

C23H43Cl2NSiZr — CID 58819839

IUPAC[2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl(dimethyl)silyl]-(1-methylcyclohexyl)azanide;carbanide;dichlorozirconium(2+)
SMILESCC1([N-][Si](C)(C)C2C3CCCCC3C3CCCCC32)CCCCC1.Cl[Zr+2]Cl.[CH3-]
InChIInChI=1S/C22H40NSi.CH3.2ClH.Zr/c1-22(15-9-4-10-16-22)23-24(2,3)21-19-13-7-5-11-17(19)18-12-6-8-14-20(18)21;;;;/h17-21H,4-16H2,1-3H3;1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyWWZHXQXHZXACMG-UHFFFAOYSA-L
MW523.82 g/mol
LogP9.11
Rot. Bonds3

About [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl(dimethyl)silyl]-(1-methylcyclohexyl)azanide;carbanide;dichlorozirconium(2+)

[2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl(dimethyl)silyl]-(1-methylcyclohexyl)azanide;carbanide;dichlorozirconium(2+) (PubChem CID 58819839) has the molecular formula C23H43Cl2NSiZr and a molecular weight of 523.82 g/mol. Its IUPAC name is [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl(dimethyl)silyl]-(1-methylcyclohexyl)azanide;carbanide;dichlorozirconium(2+).

Molecular Properties

Compound Name[2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl(dimethyl)silyl]-(1-methylcyclohexyl)azanide;carbanide;dichlorozirconium(2+)
PubChem CID58819839
Molecular FormulaC23H43Cl2NSiZr
Molecular Weight523.82 g/mol
Exact Mass521.16
IUPAC Name[2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl(dimethyl)silyl]-(1-methylcyclohexyl)azanide;carbanide;dichlorozirconium(2+)
SMILESCC1([N-][Si](C)(C)C2C3CCCCC3C3CCCCC32)CCCCC1.Cl[Zr+2]Cl.[CH3-]
InChIInChI=1S/C22H40NSi.CH3.2ClH.Zr/c1-22(15-9-4-10-16-22)23-24(2,3)21-19-13-7-5-11-17(19)18-12-6-8-14-20(18)21;;;;/h17-21H,4-16H2,1-3H3;1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyWWZHXQXHZXACMG-UHFFFAOYSA-L
XLogP9.11
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.82
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl(dimethyl)silyl]-(1-methylcyclohexyl)azanide;carbanide;dichlorozirconium(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl(dimethyl)silyl]-(1-methylcyclohexyl)azanide;carbanide;dichlorozirconium(2+)?
The IUPAC name of [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl(dimethyl)silyl]-(1-methylcyclohexyl)azanide;carbanide;dichlorozirconium(2+) (CID 58819839) is [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl(dimethyl)silyl]-(1-methylcyclohexyl)azanide;carbanide;dichlorozirconium(2+).
What is the SMILES notation for [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl(dimethyl)silyl]-(1-methylcyclohexyl)azanide;carbanide;dichlorozirconium(2+)?
The canonical SMILES for [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl(dimethyl)silyl]-(1-methylcyclohexyl)azanide;carbanide;dichlorozirconium(2+) is CC1([N-][Si](C)(C)C2C3CCCCC3C3CCCCC32)CCCCC1.Cl[Zr+2]Cl.[CH3-].
What is the InChIKey of [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl(dimethyl)silyl]-(1-methylcyclohexyl)azanide;carbanide;dichlorozirconium(2+)?
The InChIKey is WWZHXQXHZXACMG-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H40NSi.CH3.2ClH.Zr/c1-22(15-9-4-10-16-22)23-24(2,3)21-19-13-7-5-11-17(19)18-12-6-8-14-20(18)21;;;;/h17-21H,4-16H2,1-3H3;1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl(dimethyl)silyl]-(1-methylcyclohexyl)azanide;carbanide;dichlorozirconium(2+)?
[2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl(dimethyl)silyl]-(1-methylcyclohexyl)azanide;carbanide;dichlorozirconium(2+) has a molecular weight of 523.82 g/mol, XLogP of 9.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl(dimethyl)silyl]-(1-methylcyclohexyl)azanide;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 58819839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).