bis(3-tert-butyl-2-chloro-1H-inden-1-yl)-dimethylsilane;zirconium

C28H34Cl2SiZr — CID 175329499

IUPACbis(3-tert-butyl-2-chloro-1H-inden-1-yl)-dimethylsilane;zirconium
SMILESCC(C)(C)C1=C(Cl)C([Si](C)(C)C2C(Cl)=C(C(C)(C)C)c3ccccc32)c2ccccc21.[Zr]
InChIInChI=1S/C28H34Cl2Si.Zr/c1-27(2,3)21-17-13-9-11-15-19(17)25(23(21)29)31(7,8)26-20-16-12-10-14-18(20)22(24(26)30)28(4,5)6;/h9-16,25-26H,1-8H3;
InChIKeyQQVXGNFJSPSYCM-UHFFFAOYSA-N
MW560.80 g/mol
LogP9.36
Rot. Bonds2

About bis(3-tert-butyl-2-chloro-1H-inden-1-yl)-dimethylsilane;zirconium

bis(3-tert-butyl-2-chloro-1H-inden-1-yl)-dimethylsilane;zirconium (PubChem CID 175329499) has the molecular formula C28H34Cl2SiZr and a molecular weight of 560.80 g/mol. Its IUPAC name is bis(3-tert-butyl-2-chloro-1H-inden-1-yl)-dimethylsilane;zirconium.

Molecular Properties

Compound Namebis(3-tert-butyl-2-chloro-1H-inden-1-yl)-dimethylsilane;zirconium
PubChem CID175329499
Molecular FormulaC28H34Cl2SiZr
Molecular Weight560.80 g/mol
Exact Mass558.09
IUPAC Namebis(3-tert-butyl-2-chloro-1H-inden-1-yl)-dimethylsilane;zirconium
SMILESCC(C)(C)C1=C(Cl)C([Si](C)(C)C2C(Cl)=C(C(C)(C)C)c3ccccc32)c2ccccc21.[Zr]
InChIInChI=1S/C28H34Cl2Si.Zr/c1-27(2,3)21-17-13-9-11-15-19(17)25(23(21)29)31(7,8)26-20-16-12-10-14-18(20)22(24(26)30)28(4,5)6;/h9-16,25-26H,1-8H3;
InChIKeyQQVXGNFJSPSYCM-UHFFFAOYSA-N
XLogP9.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.80
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(3-tert-butyl-1H-inden-1-yl)-trimethylsilane
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chloro-cyclopenta-2,4-dien-1-yl-(9H-fluoren-9-yl)-methylsilane
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(2,3-dimethyl-1H-inden-1-yl)-trimethylsilane
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N-[(2,3-dimethyl-1H-inden-1-yl)-dimethylsilyl]-2-methylpropan-2-amine
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bis(2-chloro-4-naphthalen-1-yl-1H-inden-1-yl)-dimethylsilane
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1,1-dichlorohex-5-enyl-bis(9H-fluoren-9-yl)-methylsilane
CID 140967319
9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
bis(3-chloro-2-methyl-1H-inden-1-yl)-diethylsilane
CID 141235174
cobalt(2+);bis(1,9-dihydrofluoren-1-id-9-yl(trimethyl)silane)
CID 22297094
trichlorotitanium(1+);tris(3,5-ditert-butylphenyl)-(1,9-dihydrofluoren-1-id-9-yl)silane
CID 88592905

Frequently Asked Questions

What is the IUPAC name of bis(3-tert-butyl-2-chloro-1H-inden-1-yl)-dimethylsilane;zirconium?
The IUPAC name of bis(3-tert-butyl-2-chloro-1H-inden-1-yl)-dimethylsilane;zirconium (CID 175329499) is bis(3-tert-butyl-2-chloro-1H-inden-1-yl)-dimethylsilane;zirconium.
What is the SMILES notation for bis(3-tert-butyl-2-chloro-1H-inden-1-yl)-dimethylsilane;zirconium?
The canonical SMILES for bis(3-tert-butyl-2-chloro-1H-inden-1-yl)-dimethylsilane;zirconium is CC(C)(C)C1=C(Cl)C([Si](C)(C)C2C(Cl)=C(C(C)(C)C)c3ccccc32)c2ccccc21.[Zr].
What is the InChIKey of bis(3-tert-butyl-2-chloro-1H-inden-1-yl)-dimethylsilane;zirconium?
The InChIKey is QQVXGNFJSPSYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34Cl2Si.Zr/c1-27(2,3)21-17-13-9-11-15-19(17)25(23(21)29)31(7,8)26-20-16-12-10-14-18(20)22(24(26)30)28(4,5)6;/h9-16,25-26H,1-8H3;.
What are the key properties of bis(3-tert-butyl-2-chloro-1H-inden-1-yl)-dimethylsilane;zirconium?
bis(3-tert-butyl-2-chloro-1H-inden-1-yl)-dimethylsilane;zirconium has a molecular weight of 560.80 g/mol, XLogP of 9.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-tert-butyl-2-chloro-1H-inden-1-yl)-dimethylsilane;zirconium is sourced from PubChem (CID 175329499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).