cycloheptylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(7-trimethylsilyl-1,9-dihydrofluoren-1-id-2-yl)silane;dichloride

C31H42Cl2Si2Zr-2 — CID 160537126

IUPACcycloheptylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(7-trimethylsilyl-1,9-dihydrofluoren-1-id-2-yl)silane;dichloride
SMILESC[Si](C)(C)c1[c-]c2c(cc1)-c1ccc([Si](C)(C)C)cc1C2.[Cl-].[Cl-].[Zr+2]=C1CCCCCC1.c1cc[cH-]c1
InChIInChI=1S/C19H25Si2.C7H12.C5H5.2ClH.Zr/c1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;1-2-4-6-7-5-3-1;1-2-4-5-3-1;;;/h7-10,12H,11H2,1-6H3;1-6H2;1-5H;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyAQTIFBOSVLTTGT-UHFFFAOYSA-L
MW632.98 g/mol
LogP1.62
Rot. Bonds2

About cycloheptylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(7-trimethylsilyl-1,9-dihydrofluoren-1-id-2-yl)silane;dichloride

cycloheptylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(7-trimethylsilyl-1,9-dihydrofluoren-1-id-2-yl)silane;dichloride (PubChem CID 160537126) has the molecular formula C31H42Cl2Si2Zr-2 and a molecular weight of 632.98 g/mol. Its IUPAC name is cycloheptylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(7-trimethylsilyl-1,9-dihydrofluoren-1-id-2-yl)silane;dichloride.

Molecular Properties

Compound Namecycloheptylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(7-trimethylsilyl-1,9-dihydrofluoren-1-id-2-yl)silane;dichloride
PubChem CID160537126
Molecular FormulaC31H42Cl2Si2Zr-2
Molecular Weight632.98 g/mol
Exact Mass630.13
IUPAC Namecycloheptylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(7-trimethylsilyl-1,9-dihydrofluoren-1-id-2-yl)silane;dichloride
SMILESC[Si](C)(C)c1[c-]c2c(cc1)-c1ccc([Si](C)(C)C)cc1C2.[Cl-].[Cl-].[Zr+2]=C1CCCCCC1.c1cc[cH-]c1
InChIInChI=1S/C19H25Si2.C7H12.C5H5.2ClH.Zr/c1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;1-2-4-6-7-5-3-1;1-2-4-5-3-1;;;/h7-10,12H,11H2,1-6H3;1-6H2;1-5H;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyAQTIFBOSVLTTGT-UHFFFAOYSA-L
XLogP1.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.98
LogP ≤ 51.62
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

cycloheptylidenezirconium(2+);cyclopenta-1,3-diene;2,7-dibenzyl-1,9-dihydrofluoren-1-ide;dichloride
CID 160986251
cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;2,7-dibenzyl-1,9-dihydrofluoren-1-ide;dichloride
CID 172830451
cyclobutylidenezirconium(2+);cyclopenta-1,3-diene;2,7-dibenzyl-1,9-dihydrofluoren-1-ide;dichloride
CID 161414728
cyclobutylidenezirconium(2+);cyclopenta-1,3-diene;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;dichloride
CID 160838199
cyclohexylidenezirconium(2+);cyclopenta-1,4-dien-1-yl(trimethyl)silane;1,9-dihydrofluoren-1-ide;dichloride
CID 158868460
cyclopenta-1,3-diene;cyclopentylidenezirconium(2+);3,6-ditert-butyl-1,9-dihydrofluoren-1-ide;dichloride
CID 158127527
cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane;dichloride
CID 87776189
cyclopenta-1,3-diene;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;nonan-5-ylidenezirconium(2+);dichloride
CID 159290253
cyclopenta-1,3-diene;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;(2,4-dimethyl-2,4-diphenylpentan-3-ylidene)zirconium(2+);dichloride
CID 162198144
bis(cyclopenta-1,3-diene);bis(cyclopropylidenezirconium(2+));bis(trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane);dichloride
CID 23078753
CID 172818608
CID 172818608
cyclopenta-1,3-diene;2,7-ditert-butyl-1,9-dihydrofluoren-1-ide;hex-5-en-2-ylidenehafnium(2+);dichloride
CID 172743184

Frequently Asked Questions

What is the IUPAC name of cycloheptylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(7-trimethylsilyl-1,9-dihydrofluoren-1-id-2-yl)silane;dichloride?
The IUPAC name of cycloheptylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(7-trimethylsilyl-1,9-dihydrofluoren-1-id-2-yl)silane;dichloride (CID 160537126) is cycloheptylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(7-trimethylsilyl-1,9-dihydrofluoren-1-id-2-yl)silane;dichloride.
What is the SMILES notation for cycloheptylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(7-trimethylsilyl-1,9-dihydrofluoren-1-id-2-yl)silane;dichloride?
The canonical SMILES for cycloheptylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(7-trimethylsilyl-1,9-dihydrofluoren-1-id-2-yl)silane;dichloride is C[Si](C)(C)c1[c-]c2c(cc1)-c1ccc([Si](C)(C)C)cc1C2.[Cl-].[Cl-].[Zr+2]=C1CCCCCC1.c1cc[cH-]c1.
What is the InChIKey of cycloheptylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(7-trimethylsilyl-1,9-dihydrofluoren-1-id-2-yl)silane;dichloride?
The InChIKey is AQTIFBOSVLTTGT-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H25Si2.C7H12.C5H5.2ClH.Zr/c1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;1-2-4-6-7-5-3-1;1-2-4-5-3-1;;;/h7-10,12H,11H2,1-6H3;1-6H2;1-5H;2*1H;/q-1;;-1;;;+2/p-2.
What are the key properties of cycloheptylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(7-trimethylsilyl-1,9-dihydrofluoren-1-id-2-yl)silane;dichloride?
cycloheptylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(7-trimethylsilyl-1,9-dihydrofluoren-1-id-2-yl)silane;dichloride has a molecular weight of 632.98 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(7-trimethylsilyl-1,9-dihydrofluoren-1-id-2-yl)silane;dichloride is sourced from PubChem (CID 160537126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).