2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-dimethyl-(15-tetracyclo[10.2.1.05,14.08,13]pentadecanyl)silane;carbanide;dichlorozirconium(2+)

C32H56Cl2SiZr — CID 162297824

IUPAC2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-dimethyl-(15-tetracyclo[10.2.1.05,14.08,13]pentadecanyl)silane;carbanide;dichlorozirconium(2+)
SMILESC[Si](C)(C1C2CCCCC2C2CCCCC21)C1C2CCCC3CCC4CCCC1C4C32.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C30H50Si.2CH3.2ClH.Zr/c1-31(2,29-23-13-5-3-11-21(23)22-12-4-6-14-24(22)29)30-25-15-7-9-19-17-18-20-10-8-16-26(30)28(20)27(19)25;;;;;/h19-30H,3-18H2,1-2H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyMUBFKLCVYLVUMD-UHFFFAOYSA-L
MW631.02 g/mol
LogP11.21
Rot. Bonds2

About 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-dimethyl-(15-tetracyclo[10.2.1.05,14.08,13]pentadecanyl)silane;carbanide;dichlorozirconium(2+)

2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-dimethyl-(15-tetracyclo[10.2.1.05,14.08,13]pentadecanyl)silane;carbanide;dichlorozirconium(2+) (PubChem CID 162297824) has the molecular formula C32H56Cl2SiZr and a molecular weight of 631.02 g/mol. Its IUPAC name is 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-dimethyl-(15-tetracyclo[10.2.1.05,14.08,13]pentadecanyl)silane;carbanide;dichlorozirconium(2+).

Molecular Properties

Compound Name2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-dimethyl-(15-tetracyclo[10.2.1.05,14.08,13]pentadecanyl)silane;carbanide;dichlorozirconium(2+)
PubChem CID162297824
Molecular FormulaC32H56Cl2SiZr
Molecular Weight631.02 g/mol
Exact Mass628.26
IUPAC Name2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-dimethyl-(15-tetracyclo[10.2.1.05,14.08,13]pentadecanyl)silane;carbanide;dichlorozirconium(2+)
SMILESC[Si](C)(C1C2CCCCC2C2CCCCC21)C1C2CCCC3CCC4CCCC1C4C32.Cl[Zr+2]Cl.[CH3-].[CH3-]
InChIInChI=1S/C30H50Si.2CH3.2ClH.Zr/c1-31(2,29-23-13-5-3-11-21(23)22-12-4-6-14-24(22)29)30-25-15-7-9-19-17-18-20-10-8-16-26(30)28(20)27(19)25;;;;;/h19-30H,3-18H2,1-2H3;2*1H3;2*1H;/q;2*-1;;;+4/p-2
InChIKeyMUBFKLCVYLVUMD-UHFFFAOYSA-L
XLogP11.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.02
LogP ≤ 511.21
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-(15-tetracyclo[10.2.1.05,14.08,13]pentadecanyl)silane;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-(15-tetracyclo[10.2.1.05,14.08,13]pentadecanyl)silane;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-(15-tetracyclo[10.2.1.05,14.08,13]pentadecanyl)silane;carbanide;dichlorozirconium(2+) (CID 162297824) is 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-dimethyl-(15-tetracyclo[10.2.1.05,14.08,13]pentadecanyl)silane;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-(15-tetracyclo[10.2.1.05,14.08,13]pentadecanyl)silane;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-(15-tetracyclo[10.2.1.05,14.08,13]pentadecanyl)silane;carbanide;dichlorozirconium(2+) is C[Si](C)(C1C2CCCCC2C2CCCCC21)C1C2CCCC3CCC4CCCC1C4C32.Cl[Zr+2]Cl.[CH3-].[CH3-].
What is the InChIKey of 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-dimethyl-(15-tetracyclo[10.2.1.05,14.08,13]pentadecanyl)silane;carbanide;dichlorozirconium(2+)?
The InChIKey is MUBFKLCVYLVUMD-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H50Si.2CH3.2ClH.Zr/c1-31(2,29-23-13-5-3-11-21(23)22-12-4-6-14-24(22)29)30-25-15-7-9-19-17-18-20-10-8-16-26(30)28(20)27(19)25;;;;;/h19-30H,3-18H2,1-2H3;2*1H3;2*1H;/q;2*-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-(15-tetracyclo[10.2.1.05,14.08,13]pentadecanyl)silane;carbanide;dichlorozirconium(2+)?
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-dimethyl-(15-tetracyclo[10.2.1.05,14.08,13]pentadecanyl)silane;carbanide;dichlorozirconium(2+) has a molecular weight of 631.02 g/mol, XLogP of 11.21, 2 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-(15-tetracyclo[10.2.1.05,14.08,13]pentadecanyl)silane;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 162297824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).