2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride

C30H33Cl2O2SiZr- — CID 87935870

IUPAC2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride
SMILESCC(C)=[Zr+2].C[Si](C)(C)OCCOC1=Cc2ccccc2C1c1cccc2c1[cH-]c1ccccc12.[Cl-].[Cl-]
InChIInChI=1S/C27H27O2Si.C3H6.2ClH.Zr/c1-30(2,3)29-16-15-28-26-18-20-10-5-7-12-22(20)27(26)24-14-8-13-23-21-11-6-4-9-19(21)17-25(23)24;1-3-2;;;/h4-14,17-18,27H,15-16H2,1-3H3;1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyFFGQZLRJYJFROC-UHFFFAOYSA-L
MW615.81 g/mol
LogP1.82
Rot. Bonds6

About 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride

2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride (PubChem CID 87935870) has the molecular formula C30H33Cl2O2SiZr- and a molecular weight of 615.81 g/mol. Its IUPAC name is 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride.

Molecular Properties

Compound Name2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride
PubChem CID87935870
Molecular FormulaC30H33Cl2O2SiZr-
Molecular Weight615.81 g/mol
Exact Mass613.07
IUPAC Name2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride
SMILESCC(C)=[Zr+2].C[Si](C)(C)OCCOC1=Cc2ccccc2C1c1cccc2c1[cH-]c1ccccc12.[Cl-].[Cl-]
InChIInChI=1S/C27H27O2Si.C3H6.2ClH.Zr/c1-30(2,3)29-16-15-28-26-18-20-10-5-7-12-22(20)27(26)24-14-8-13-23-21-11-6-4-9-19(21)17-25(23)24;1-3-2;;;/h4-14,17-18,27H,15-16H2,1-3H3;1-2H3;2*1H;/q-1;;;;+2/p-2
InChIKeyFFGQZLRJYJFROC-UHFFFAOYSA-L
XLogP1.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.81
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[1-(9H-fluoren-9-id-1-yl)-3-methoxy-1H-inden-2-yl]oxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride
CID 87935893
CID 87936488
CID 87936488
ethylidenezirconium(2+);1-[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]propan-2-yloxy-trimethylsilane;dichloride
CID 87936336
ethylidenezirconium(2+);2-[(1-inden-1-id-1-yl-1H-inden-2-yl)oxy]ethoxy-trimethylsilane;dichloride
CID 87936300
dichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yloxy)ethoxy-trimethylsilane
CID 87936219
2-[[1-(1H-inden-1-id-2-yl)-1H-inden-2-yl]oxy]ethanol;zirconium(3+);dichloride
CID 158135450
1-cyclopenta-2,4-dien-1-yl-9H-fluoren-9-ide;dimethylsilylidenezirconium(2+);dichloride
CID 160785285
CID 172998775
CID 172998775
cyclopenta-1,3-diene;9H-fluoren-9-ide;[methyl(3-trimethylsilyloxypropyl)silylidene]zirconium(2+);dichloride
CID 162005941
CID 172998719
CID 172998719
1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone
CID 139946466
[4-(9H-fluoren-9-id-1-yl)cyclopenta-1,4-dien-1-yl]-trimethylsilane;propan-2-ylidenehafnium(2+);dichloride
CID 22375891

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride?
The IUPAC name of 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride (CID 87935870) is 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride.
What is the SMILES notation for 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride?
The canonical SMILES for 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride is CC(C)=[Zr+2].C[Si](C)(C)OCCOC1=Cc2ccccc2C1c1cccc2c1[cH-]c1ccccc12.[Cl-].[Cl-].
What is the InChIKey of 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride?
The InChIKey is FFGQZLRJYJFROC-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H27O2Si.C3H6.2ClH.Zr/c1-30(2,3)29-16-15-28-26-18-20-10-5-7-12-22(20)27(26)24-14-8-13-23-21-11-6-4-9-19(21)17-25(23)24;1-3-2;;;/h4-14,17-18,27H,15-16H2,1-3H3;1-2H3;2*1H;/q-1;;;;+2/p-2.
What are the key properties of 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride?
2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride has a molecular weight of 615.81 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(9H-fluoren-9-id-1-yl)-1H-inden-2-yl]oxy]ethoxy-trimethylsilane;propan-2-ylidenezirconium(2+);dichloride is sourced from PubChem (CID 87935870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).