cyclopenta-1,3-diene;diphenylsilylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide;dichloride

C46H56Cl2SiZr-2 — CID 87448115

IUPACcyclopenta-1,3-diene;diphenylsilylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide;dichloride
SMILESCC(C)(C)c1[c-]c2c(cc1C(C)(C)C)-c1cc(C(C)(C)C)c(C(C)(C)C)cc1C2.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C29H41.C12H10Si.C5H5.2ClH.Zr/c1-26(2,3)22-14-18-13-19-15-23(27(4,5)6)25(29(10,11)12)17-21(19)20(18)16-24(22)28(7,8)9;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1;;;/h14,16-17H,13H2,1-12H3;1-10H;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyIBKYITJPWJUBBE-UHFFFAOYSA-L
MW799.17 g/mol
LogP4.90
Rot. Bonds2

About cyclopenta-1,3-diene;diphenylsilylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide;dichloride

cyclopenta-1,3-diene;diphenylsilylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide;dichloride (PubChem CID 87448115) has the molecular formula C46H56Cl2SiZr-2 and a molecular weight of 799.17 g/mol. Its IUPAC name is cyclopenta-1,3-diene;diphenylsilylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide;dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;diphenylsilylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide;dichloride
PubChem CID87448115
Molecular FormulaC46H56Cl2SiZr-2
Molecular Weight799.17 g/mol
Exact Mass796.26
IUPAC Namecyclopenta-1,3-diene;diphenylsilylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide;dichloride
SMILESCC(C)(C)c1[c-]c2c(cc1C(C)(C)C)-c1cc(C(C)(C)C)c(C(C)(C)C)cc1C2.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C29H41.C12H10Si.C5H5.2ClH.Zr/c1-26(2,3)22-14-18-13-19-15-23(27(4,5)6)25(29(10,11)12)17-21(19)20(18)16-24(22)28(7,8)9;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1;;;/h14,16-17H,13H2,1-12H3;1-10H;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyIBKYITJPWJUBBE-UHFFFAOYSA-L
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500799.17
LogP ≤ 54.90
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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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;diphenylsilylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide;dichloride?
The IUPAC name of cyclopenta-1,3-diene;diphenylsilylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide;dichloride (CID 87448115) is cyclopenta-1,3-diene;diphenylsilylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide;dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;diphenylsilylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide;dichloride?
The canonical SMILES for cyclopenta-1,3-diene;diphenylsilylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide;dichloride is CC(C)(C)c1[c-]c2c(cc1C(C)(C)C)-c1cc(C(C)(C)C)c(C(C)(C)C)cc1C2.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2]=[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of cyclopenta-1,3-diene;diphenylsilylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide;dichloride?
The InChIKey is IBKYITJPWJUBBE-UHFFFAOYSA-L. The full InChI is InChI=1S/C29H41.C12H10Si.C5H5.2ClH.Zr/c1-26(2,3)22-14-18-13-19-15-23(27(4,5)6)25(29(10,11)12)17-21(19)20(18)16-24(22)28(7,8)9;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1;;;/h14,16-17H,13H2,1-12H3;1-10H;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;diphenylsilylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide;dichloride?
cyclopenta-1,3-diene;diphenylsilylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide;dichloride has a molecular weight of 799.17 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;diphenylsilylidenezirconium(2+);2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide;dichloride is sourced from PubChem (CID 87448115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).