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

C47H64Cl4Si2Zr2 — CID 174143315

IUPACbis(dichlorozirconium);[4-[5-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methyl-1H-inden-4-yl]pentyl]-2-methyl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=Cc2c(CCCCCc3cccc4c3C=C(C)C4[Si](C)(C)C3C(C)=C(C)C(C)=C3C)cccc2C1[Si](C)(C)C1C(C)=C(C)C(C)=C1C.Cl[Zr]Cl.Cl[Zr]Cl
InChIInChI=1S/C47H64Si2.4ClH.2Zr/c1-28-26-42-38(22-18-24-40(42)44(28)48(11,12)46-34(7)30(3)31(4)35(46)8)20-16-15-17-21-39-23-19-25-41-43(39)27-29(2)45(41)49(13,14)47-36(9)32(5)33(6)37(47)10;;;;;;/h18-19,22-27,44-47H,15-17,20-21H2,1-14H3;4*1H;;/q;;;;;2*+2/p-4
InChIKeyYHUSRNSIKAAYQC-UHFFFAOYSA-J
MW1009.46 g/mol
LogP17.00
Rot. Bonds10

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

bis(dichlorozirconium);[4-[5-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methyl-1H-inden-4-yl]pentyl]-2-methyl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 174143315) has the molecular formula C47H64Cl4Si2Zr2 and a molecular weight of 1009.46 g/mol. Its IUPAC name is bis(dichlorozirconium);[4-[5-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methyl-1H-inden-4-yl]pentyl]-2-methyl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namebis(dichlorozirconium);[4-[5-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methyl-1H-inden-4-yl]pentyl]-2-methyl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID174143315
Molecular FormulaC47H64Cl4Si2Zr2
Molecular Weight1009.46 g/mol
Exact Mass1004.14
IUPAC Namebis(dichlorozirconium);[4-[5-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methyl-1H-inden-4-yl]pentyl]-2-methyl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=Cc2c(CCCCCc3cccc4c3C=C(C)C4[Si](C)(C)C3C(C)=C(C)C(C)=C3C)cccc2C1[Si](C)(C)C1C(C)=C(C)C(C)=C1C.Cl[Zr]Cl.Cl[Zr]Cl
InChIInChI=1S/C47H64Si2.4ClH.2Zr/c1-28-26-42-38(22-18-24-40(42)44(28)48(11,12)46-34(7)30(3)31(4)35(46)8)20-16-15-17-21-39-23-19-25-41-43(39)27-29(2)45(41)49(13,14)47-36(9)32(5)33(6)37(47)10;;;;;;/h18-19,22-27,44-47H,15-17,20-21H2,1-14H3;4*1H;;/q;;;;;2*+2/p-4
InChIKeyYHUSRNSIKAAYQC-UHFFFAOYSA-J
XLogP17.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.46
LogP ≤ 517.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-yl)silane
CID 617108
bis(2-methyl-4-propyl-1H-inden-1-yl)-diphenylsilane
CID 154364351
dimethyl-bis[(1R)-2-methyl-4-phenyl-1H-inden-1-yl]silane
CID 101111754
(4-bromo-2-methyl-1H-inden-1-yl)-trimethylsilane
CID 58897750
dimethyl-(2-methyl-3-propyl-1H-inden-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 158268305
[1-[(4-bromo-2-methyl-1H-inden-1-yl)-dimethylsilyl]-2-methyl-1H-inden-4-yl]-diphenylphosphane
CID 87245680
(4-cyclohexyl-2-methyl-1H-inden-1-yl)-dimethyl-(2-methyl-1H-inden-1-yl)silane
CID 67039854
[5-(4-tert-butylphenyl)-2-methyl-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalen-3-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 178126216
chloro-[dimethyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)silyl]-dimethylsilane
CID 163422359
bis[4-(4-hexylphenyl)-2-propan-2-yl-1H-inden-1-yl]-dimethylsilane
CID 22994968
bis(3-chloro-2,4-diethyl-1H-inden-1-yl)-dimethylsilane
CID 141041106
chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane
CID 57186607

Frequently Asked Questions

What is the IUPAC name of bis(dichlorozirconium);[4-[5-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methyl-1H-inden-4-yl]pentyl]-2-methyl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of bis(dichlorozirconium);[4-[5-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methyl-1H-inden-4-yl]pentyl]-2-methyl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 174143315) is bis(dichlorozirconium);[4-[5-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methyl-1H-inden-4-yl]pentyl]-2-methyl-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-[5-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methyl-1H-inden-4-yl]pentyl]-2-methyl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for bis(dichlorozirconium);[4-[5-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methyl-1H-inden-4-yl]pentyl]-2-methyl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=Cc2c(CCCCCc3cccc4c3C=C(C)C4[Si](C)(C)C3C(C)=C(C)C(C)=C3C)cccc2C1[Si](C)(C)C1C(C)=C(C)C(C)=C1C.Cl[Zr]Cl.Cl[Zr]Cl.
What is the InChIKey of bis(dichlorozirconium);[4-[5-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methyl-1H-inden-4-yl]pentyl]-2-methyl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is YHUSRNSIKAAYQC-UHFFFAOYSA-J. The full InChI is InChI=1S/C47H64Si2.4ClH.2Zr/c1-28-26-42-38(22-18-24-40(42)44(28)48(11,12)46-34(7)30(3)31(4)35(46)8)20-16-15-17-21-39-23-19-25-41-43(39)27-29(2)45(41)49(13,14)47-36(9)32(5)33(6)37(47)10;;;;;;/h18-19,22-27,44-47H,15-17,20-21H2,1-14H3;4*1H;;/q;;;;;2*+2/p-4.
What are the key properties of bis(dichlorozirconium);[4-[5-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methyl-1H-inden-4-yl]pentyl]-2-methyl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
bis(dichlorozirconium);[4-[5-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methyl-1H-inden-4-yl]pentyl]-2-methyl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 1009.46 g/mol, XLogP of 17.00, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dichlorozirconium);[4-[5-[1-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methyl-1H-inden-4-yl]pentyl]-2-methyl-1H-inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 174143315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).