dimethylsilylidenezirconium(2+);1-(7-methyl-2-pentyl-1H-inden-1-id-4-yl)naphthalene;1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride

C49H50Cl2SiZr-2 — CID 160963311

IUPACdimethylsilylidenezirconium(2+);1-(7-methyl-2-pentyl-1H-inden-1-id-4-yl)naphthalene;1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride
SMILESCC(C)c1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.CCCCCc1cc2c(-c3cccc4ccccc34)ccc(C)c2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/C25H25.C22H19.C2H6Si.2ClH.Zr/c1-3-4-5-9-19-16-24-18(2)14-15-23(25(24)17-19)22-13-8-11-20-10-6-7-12-21(20)22;1-15(2)18-13-17-9-6-12-21(22(17)14-18)20-11-5-8-16-7-3-4-10-19(16)20;1-3-2;;;/h6-8,10-17H,3-5,9H2,1-2H3;3-15H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyKUOLVMADGJXQOW-UHFFFAOYSA-L
MW829.16 g/mol
LogP8.71
Rot. Bonds7

About dimethylsilylidenezirconium(2+);1-(7-methyl-2-pentyl-1H-inden-1-id-4-yl)naphthalene;1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride

dimethylsilylidenezirconium(2+);1-(7-methyl-2-pentyl-1H-inden-1-id-4-yl)naphthalene;1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride (PubChem CID 160963311) has the molecular formula C49H50Cl2SiZr-2 and a molecular weight of 829.16 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);1-(7-methyl-2-pentyl-1H-inden-1-id-4-yl)naphthalene;1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);1-(7-methyl-2-pentyl-1H-inden-1-id-4-yl)naphthalene;1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride
PubChem CID160963311
Molecular FormulaC49H50Cl2SiZr-2
Molecular Weight829.16 g/mol
Exact Mass826.21
IUPAC Namedimethylsilylidenezirconium(2+);1-(7-methyl-2-pentyl-1H-inden-1-id-4-yl)naphthalene;1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride
SMILESCC(C)c1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.CCCCCc1cc2c(-c3cccc4ccccc34)ccc(C)c2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/C25H25.C22H19.C2H6Si.2ClH.Zr/c1-3-4-5-9-19-16-24-18(2)14-15-23(25(24)17-19)22-13-8-11-20-10-6-7-12-21(20)22;1-15(2)18-13-17-9-6-12-21(22(17)14-18)20-11-5-8-16-7-3-4-10-19(16)20;1-3-2;;;/h6-8,10-17H,3-5,9H2,1-2H3;3-15H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyKUOLVMADGJXQOW-UHFFFAOYSA-L
XLogP8.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.16
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 173027512
CID 173027512
1-(7-butyl-2-methyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride
CID 159830116
1-(2,7-dimethyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);4-(3-methylphenyl)-2-propan-2-yl-1H-inden-1-ide;dichloride
CID 158823228
CID 87188724
CID 87188724
CID 87188940
CID 87188940
dichloro(dimethylsilylidene)zirconium;bis(1-(2-pentyl-1H-inden-1-id-4-yl)naphthalene)
CID 87216555
CID 87188426
CID 87188426
dichlorozirconium;ethane;bis(1-(7-methyl-2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene)
CID 87984278
dimethylsilylidenezirconium(2+);bis(2-methyl-1-(2-propyl-1H-inden-1-id-4-yl)naphthalene);dichloride
CID 173141968
CID 87188683
CID 87188683
dimethylsilylidenezirconium(2+);bis(1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene);dichloride
CID 173142018
2-butan-2-yl-4-phenyl-1H-inden-1-ide;2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
CID 159487976

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);1-(7-methyl-2-pentyl-1H-inden-1-id-4-yl)naphthalene;1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);1-(7-methyl-2-pentyl-1H-inden-1-id-4-yl)naphthalene;1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride (CID 160963311) is dimethylsilylidenezirconium(2+);1-(7-methyl-2-pentyl-1H-inden-1-id-4-yl)naphthalene;1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);1-(7-methyl-2-pentyl-1H-inden-1-id-4-yl)naphthalene;1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);1-(7-methyl-2-pentyl-1H-inden-1-id-4-yl)naphthalene;1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride is CC(C)c1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.CCCCCc1cc2c(-c3cccc4ccccc34)ccc(C)c2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium(2+);1-(7-methyl-2-pentyl-1H-inden-1-id-4-yl)naphthalene;1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride?
The InChIKey is KUOLVMADGJXQOW-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H25.C22H19.C2H6Si.2ClH.Zr/c1-3-4-5-9-19-16-24-18(2)14-15-23(25(24)17-19)22-13-8-11-20-10-6-7-12-21(20)22;1-15(2)18-13-17-9-6-12-21(22(17)14-18)20-11-5-8-16-7-3-4-10-19(16)20;1-3-2;;;/h6-8,10-17H,3-5,9H2,1-2H3;3-15H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);1-(7-methyl-2-pentyl-1H-inden-1-id-4-yl)naphthalene;1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride?
dimethylsilylidenezirconium(2+);1-(7-methyl-2-pentyl-1H-inden-1-id-4-yl)naphthalene;1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride has a molecular weight of 829.16 g/mol, XLogP of 8.71, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);1-(7-methyl-2-pentyl-1H-inden-1-id-4-yl)naphthalene;1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride is sourced from PubChem (CID 160963311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).