bis(dichlorozirconium);[4-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-propan-2-yl-1H-inden-4-yl]-2-propan-2-yl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

C46H62Cl4Si2Zr2 — CID 174143321

IUPACbis(dichlorozirconium);[4-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-propan-2-yl-1H-inden-4-yl]-2-propan-2-yl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](C)(C)C2C(C(C)C)=Cc3c(-c4cccc5c4C=C(C(C)C)C5[Si](C)(C)C4C(C)=C(C)C(C)=C4C)cccc32)C(C)=C1C.Cl[Zr]Cl.Cl[Zr]Cl
InChIInChI=1S/C46H62Si2.4ClH.2Zr/c1-25(2)39-23-41-35(19-17-21-37(41)45(39)47(13,14)43-31(9)27(5)28(6)32(43)10)36-20-18-22-38-42(36)24-40(26(3)4)46(38)48(15,16)44-33(11)29(7)30(8)34(44)12;;;;;;/h17-26,43-46H,1-16H3;4*1H;;/q;;;;;2*+2/p-4
InChIKeyHXWXWZVJNRCSAX-UHFFFAOYSA-J
MW995.43 g/mol
LogP16.99
Rot. Bonds7

About bis(dichlorozirconium);[4-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-propan-2-yl-1H-inden-4-yl]-2-propan-2-yl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

bis(dichlorozirconium);[4-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-propan-2-yl-1H-inden-4-yl]-2-propan-2-yl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 174143321) has the molecular formula C46H62Cl4Si2Zr2 and a molecular weight of 995.43 g/mol. Its IUPAC name is bis(dichlorozirconium);[4-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-propan-2-yl-1H-inden-4-yl]-2-propan-2-yl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namebis(dichlorozirconium);[4-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-propan-2-yl-1H-inden-4-yl]-2-propan-2-yl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID174143321
Molecular FormulaC46H62Cl4Si2Zr2
Molecular Weight995.43 g/mol
Exact Mass990.12
IUPAC Namebis(dichlorozirconium);[4-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-propan-2-yl-1H-inden-4-yl]-2-propan-2-yl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](C)(C)C2C(C(C)C)=Cc3c(-c4cccc5c4C=C(C(C)C)C5[Si](C)(C)C4C(C)=C(C)C(C)=C4C)cccc32)C(C)=C1C.Cl[Zr]Cl.Cl[Zr]Cl
InChIInChI=1S/C46H62Si2.4ClH.2Zr/c1-25(2)39-23-41-35(19-17-21-37(41)45(39)47(13,14)43-31(9)27(5)28(6)32(43)10)36-20-18-22-38-42(36)24-40(26(3)4)46(38)48(15,16)44-33(11)29(7)30(8)34(44)12;;;;;;/h17-26,43-46H,1-16H3;4*1H;;/q;;;;;2*+2/p-4
InChIKeyHXWXWZVJNRCSAX-UHFFFAOYSA-J
XLogP16.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.43
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(dichlorozirconium);[4-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-propan-2-yl-1H-inden-4-yl]-2-propan-2-yl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(dichlorozirconium);[4-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-propan-2-yl-1H-inden-4-yl]-2-propan-2-yl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of bis(dichlorozirconium);[4-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-propan-2-yl-1H-inden-4-yl]-2-propan-2-yl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 174143321) is bis(dichlorozirconium);[4-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-propan-2-yl-1H-inden-4-yl]-2-propan-2-yl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for bis(dichlorozirconium);[4-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-propan-2-yl-1H-inden-4-yl]-2-propan-2-yl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for bis(dichlorozirconium);[4-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-propan-2-yl-1H-inden-4-yl]-2-propan-2-yl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=C(C)C([Si](C)(C)C2C(C(C)C)=Cc3c(-c4cccc5c4C=C(C(C)C)C5[Si](C)(C)C4C(C)=C(C)C(C)=C4C)cccc32)C(C)=C1C.Cl[Zr]Cl.Cl[Zr]Cl.
What is the InChIKey of bis(dichlorozirconium);[4-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-propan-2-yl-1H-inden-4-yl]-2-propan-2-yl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is HXWXWZVJNRCSAX-UHFFFAOYSA-J. The full InChI is InChI=1S/C46H62Si2.4ClH.2Zr/c1-25(2)39-23-41-35(19-17-21-37(41)45(39)47(13,14)43-31(9)27(5)28(6)32(43)10)36-20-18-22-38-42(36)24-40(26(3)4)46(38)48(15,16)44-33(11)29(7)30(8)34(44)12;;;;;;/h17-26,43-46H,1-16H3;4*1H;;/q;;;;;2*+2/p-4.
What are the key properties of bis(dichlorozirconium);[4-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-propan-2-yl-1H-inden-4-yl]-2-propan-2-yl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
bis(dichlorozirconium);[4-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-propan-2-yl-1H-inden-4-yl]-2-propan-2-yl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 995.43 g/mol, XLogP of 16.99, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dichlorozirconium);[4-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-propan-2-yl-1H-inden-4-yl]-2-propan-2-yl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 174143321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).