(2-butyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;zirconium(4+);tetrachloride

C28H30Cl4SiZr — CID 173337807

IUPAC(2-butyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;zirconium(4+);tetrachloride
SMILESCCCCC1=Cc2ccccc2C1[Si](C)(C)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C28H30Si.4ClH.Zr/c1-4-5-12-21-19-20-13-6-7-14-22(20)27(21)29(2,3)28-25-17-10-8-15-23(25)24-16-9-11-18-26(24)28;;;;;/h6-11,13-19,27-28H,4-5,12H2,1-3H3;4*1H;/q;;;;;+4/p-4
InChIKeyAKSURFGVBPXGDL-UHFFFAOYSA-J
MW627.67 g/mol
LogP-4.03
Rot. Bonds5

About (2-butyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;zirconium(4+);tetrachloride

(2-butyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;zirconium(4+);tetrachloride (PubChem CID 173337807) has the molecular formula C28H30Cl4SiZr and a molecular weight of 627.67 g/mol. Its IUPAC name is (2-butyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;zirconium(4+);tetrachloride.

Molecular Properties

Compound Name(2-butyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;zirconium(4+);tetrachloride
PubChem CID173337807
Molecular FormulaC28H30Cl4SiZr
Molecular Weight627.67 g/mol
Exact Mass623.99
IUPAC Name(2-butyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;zirconium(4+);tetrachloride
SMILESCCCCC1=Cc2ccccc2C1[Si](C)(C)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C28H30Si.4ClH.Zr/c1-4-5-12-21-19-20-13-6-7-14-22(20)27(21)29(2,3)28-25-17-10-8-15-23(25)24-16-9-11-18-26(24)28;;;;;/h6-11,13-19,27-28H,4-5,12H2,1-3H3;4*1H;/q;;;;;+4/p-4
InChIKeyAKSURFGVBPXGDL-UHFFFAOYSA-J
XLogP-4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500627.67
LogP ≤ 5-4.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-butyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;zirconium(4+);tetrachloride?
The IUPAC name of (2-butyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;zirconium(4+);tetrachloride (CID 173337807) is (2-butyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;zirconium(4+);tetrachloride.
What is the SMILES notation for (2-butyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;zirconium(4+);tetrachloride?
The canonical SMILES for (2-butyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;zirconium(4+);tetrachloride is CCCCC1=Cc2ccccc2C1[Si](C)(C)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4].
What is the InChIKey of (2-butyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;zirconium(4+);tetrachloride?
The InChIKey is AKSURFGVBPXGDL-UHFFFAOYSA-J. The full InChI is InChI=1S/C28H30Si.4ClH.Zr/c1-4-5-12-21-19-20-13-6-7-14-22(20)27(21)29(2,3)28-25-17-10-8-15-23(25)24-16-9-11-18-26(24)28;;;;;/h6-11,13-19,27-28H,4-5,12H2,1-3H3;4*1H;/q;;;;;+4/p-4.
What are the key properties of (2-butyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;zirconium(4+);tetrachloride?
(2-butyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;zirconium(4+);tetrachloride has a molecular weight of 627.67 g/mol, XLogP of -4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-1H-inden-1-yl)-(9H-fluoren-9-yl)-dimethylsilane;zirconium(4+);tetrachloride is sourced from PubChem (CID 173337807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).