bis(2,7-dimethyl-3H-inden-3-id-1-yl)-dimethylsilane;carbanide;zirconium(4+)

C26H32SiZr — CID 173166900

IUPACbis(2,7-dimethyl-3H-inden-3-id-1-yl)-dimethylsilane;carbanide;zirconium(4+)
SMILESCc1[cH-]c2cccc(C)c2c1[Si](C)(C)c1c(C)[cH-]c2cccc(C)c12.[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C24H26Si.2CH3.Zr/c1-15-9-7-11-19-13-17(3)23(21(15)19)25(5,6)24-18(4)14-20-12-8-10-16(2)22(20)24;;;/h7-14H,1-6H3;2*1H3;/q-2;2*-1;+4
InChIKeyBLYSIVYKPWZYIO-UHFFFAOYSA-N
MW463.85 g/mol
LogP6.39
Rot. Bonds2

About bis(2,7-dimethyl-3H-inden-3-id-1-yl)-dimethylsilane;carbanide;zirconium(4+)

bis(2,7-dimethyl-3H-inden-3-id-1-yl)-dimethylsilane;carbanide;zirconium(4+) (PubChem CID 173166900) has the molecular formula C26H32SiZr and a molecular weight of 463.85 g/mol. Its IUPAC name is bis(2,7-dimethyl-3H-inden-3-id-1-yl)-dimethylsilane;carbanide;zirconium(4+).

Molecular Properties

Compound Namebis(2,7-dimethyl-3H-inden-3-id-1-yl)-dimethylsilane;carbanide;zirconium(4+)
PubChem CID173166900
Molecular FormulaC26H32SiZr
Molecular Weight463.85 g/mol
Exact Mass462.13
IUPAC Namebis(2,7-dimethyl-3H-inden-3-id-1-yl)-dimethylsilane;carbanide;zirconium(4+)
SMILESCc1[cH-]c2cccc(C)c2c1[Si](C)(C)c1c(C)[cH-]c2cccc(C)c12.[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C24H26Si.2CH3.Zr/c1-15-9-7-11-19-13-17(3)23(21(15)19)25(5,6)24-18(4)14-20-12-8-10-16(2)22(20)24;;;/h7-14H,1-6H3;2*1H3;/q-2;2*-1;+4
InChIKeyBLYSIVYKPWZYIO-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.85
LogP ≤ 56.39
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'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,7-dimethyl-3H-inden-3-id-1-yl)-dimethylsilane;carbanide;zirconium(4+)?
The IUPAC name of bis(2,7-dimethyl-3H-inden-3-id-1-yl)-dimethylsilane;carbanide;zirconium(4+) (CID 173166900) is bis(2,7-dimethyl-3H-inden-3-id-1-yl)-dimethylsilane;carbanide;zirconium(4+).
What is the SMILES notation for bis(2,7-dimethyl-3H-inden-3-id-1-yl)-dimethylsilane;carbanide;zirconium(4+)?
The canonical SMILES for bis(2,7-dimethyl-3H-inden-3-id-1-yl)-dimethylsilane;carbanide;zirconium(4+) is Cc1[cH-]c2cccc(C)c2c1[Si](C)(C)c1c(C)[cH-]c2cccc(C)c12.[CH3-].[CH3-].[Zr+4].
What is the InChIKey of bis(2,7-dimethyl-3H-inden-3-id-1-yl)-dimethylsilane;carbanide;zirconium(4+)?
The InChIKey is BLYSIVYKPWZYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Si.2CH3.Zr/c1-15-9-7-11-19-13-17(3)23(21(15)19)25(5,6)24-18(4)14-20-12-8-10-16(2)22(20)24;;;/h7-14H,1-6H3;2*1H3;/q-2;2*-1;+4.
What are the key properties of bis(2,7-dimethyl-3H-inden-3-id-1-yl)-dimethylsilane;carbanide;zirconium(4+)?
bis(2,7-dimethyl-3H-inden-3-id-1-yl)-dimethylsilane;carbanide;zirconium(4+) has a molecular weight of 463.85 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,7-dimethyl-3H-inden-3-id-1-yl)-dimethylsilane;carbanide;zirconium(4+) is sourced from PubChem (CID 173166900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).