bis(diphenylsilylidenezirconium(2+));tetrakis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride

C72H64Cl2Si2Zr2-2 — CID 21261564

IUPACbis(diphenylsilylidenezirconium(2+));tetrakis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride
SMILESCC1=[C-]CC(c2ccccc2)=C1.CC1=[C-]CC(c2ccccc2)=C1.CC1=[C-]CC(c2ccccc2)=C1.CC1=[C-]CC(c2ccccc2)=C1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1.[Zr+2]=[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/2C12H10Si.4C12H11.2ClH.2Zr/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*1-10-7-8-12(9-10)11-5-3-2-4-6-11;;;;/h2*1-10H;4*2-6,9H,8H2,1H3;2*1H;;/q;;4*-1;;;2*+2/p-2
InChIKeyYNWDOBVRSMESKW-UHFFFAOYSA-L
MW1238.83 g/mol
LogP9.58
Rot. Bonds8

About bis(diphenylsilylidenezirconium(2+));tetrakis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride

bis(diphenylsilylidenezirconium(2+));tetrakis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride (PubChem CID 21261564) has the molecular formula C72H64Cl2Si2Zr2-2 and a molecular weight of 1238.83 g/mol. Its IUPAC name is bis(diphenylsilylidenezirconium(2+));tetrakis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride.

Molecular Properties

Compound Namebis(diphenylsilylidenezirconium(2+));tetrakis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride
PubChem CID21261564
Molecular FormulaC72H64Cl2Si2Zr2-2
Molecular Weight1238.83 g/mol
Exact Mass1234.20
IUPAC Namebis(diphenylsilylidenezirconium(2+));tetrakis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride
SMILESCC1=[C-]CC(c2ccccc2)=C1.CC1=[C-]CC(c2ccccc2)=C1.CC1=[C-]CC(c2ccccc2)=C1.CC1=[C-]CC(c2ccccc2)=C1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1.[Zr+2]=[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/2C12H10Si.4C12H11.2ClH.2Zr/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*1-10-7-8-12(9-10)11-5-3-2-4-6-11;;;;/h2*1-10H;4*2-6,9H,8H2,1H3;2*1H;;/q;;4*-1;;;2*+2/p-2
InChIKeyYNWDOBVRSMESKW-UHFFFAOYSA-L
XLogP9.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001238.83
LogP ≤ 59.58
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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Related Compounds

4,4'',4'''',4''''''-Silanetetrayltetrakis(1,1'-biphenyl)
CID 76878
4,4''-(Diphenylsilylene)bis(1,1'-biphenyl)
CID 76636
Silacyclopenta-2,4-diene, 1,1-dichloro-2,3,4,5-tetraphenyl-
CID 11430979
Benzyltris(3-phenylpropyl)silane
CID 4154799
Tetrakis(3-phenylpropyl)silane
CID 4606835
Chlorotri(2-biphenylyl)silane
CID 5058172
Disilane, hexakis(4-methylphenyl)-
CID 627323
1,1,2,3,4,5-Hexaphenyl-1H-silole
CID 20758316
Tribiphenyl-4-yl(phenyl)silane
CID 233885
[(E)-1,2-Diphenyl-ethen-1-yl]-triphenylsilane
CID 5377528
1,1-Ditrimethylsilyl,-2,3,4,5-tetraphenyl-germacyclopenta-2,4-diene
CID 6329079
7,8-Dimethyl-1,2,3,4-tetraphenyl-5-silaspiro[4.4]nona-1,3,7-triene
CID 10790388

Frequently Asked Questions

What is the IUPAC name of bis(diphenylsilylidenezirconium(2+));tetrakis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride?
The IUPAC name of bis(diphenylsilylidenezirconium(2+));tetrakis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride (CID 21261564) is bis(diphenylsilylidenezirconium(2+));tetrakis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride.
What is the SMILES notation for bis(diphenylsilylidenezirconium(2+));tetrakis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride?
The canonical SMILES for bis(diphenylsilylidenezirconium(2+));tetrakis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride is CC1=[C-]CC(c2ccccc2)=C1.CC1=[C-]CC(c2ccccc2)=C1.CC1=[C-]CC(c2ccccc2)=C1.CC1=[C-]CC(c2ccccc2)=C1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1.[Zr+2]=[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of bis(diphenylsilylidenezirconium(2+));tetrakis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride?
The InChIKey is YNWDOBVRSMESKW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H10Si.4C12H11.2ClH.2Zr/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*1-10-7-8-12(9-10)11-5-3-2-4-6-11;;;;/h2*1-10H;4*2-6,9H,8H2,1H3;2*1H;;/q;;4*-1;;;2*+2/p-2.
What are the key properties of bis(diphenylsilylidenezirconium(2+));tetrakis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride?
bis(diphenylsilylidenezirconium(2+));tetrakis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride has a molecular weight of 1238.83 g/mol, XLogP of 9.58, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diphenylsilylidenezirconium(2+));tetrakis((3-methylcyclopenta-1,3-dien-1-yl)benzene);dichloride is sourced from PubChem (CID 21261564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).