dichlorozirconium;9H-fluoren-9-ide;9-(9H-fluoren-9-yl)-9H-fluorene;1H-inden-1-ide;zirconium(3+);dichloride

C48H34Cl4Zr2- — CID 19077812

IUPACdichlorozirconium;9H-fluoren-9-ide;9-(9H-fluoren-9-yl)-9H-fluorene;1H-inden-1-ide;zirconium(3+);dichloride
SMILESCl[Zr]Cl.[Cl-].[Cl-].[Zr+3].c1ccc2[cH-]ccc2c1.c1ccc2c(c1)-c1ccccc1C2C1c2ccccc2-c2ccccc21.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C26H18.C13H9.C9H7.4ClH.2Zr/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)26-23-15-7-3-11-19(23)20-12-4-8-16-24(20)26;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-5-9-7-3-6-8(9)4-1;;;;;;/h1-16,25-26H;1-9H;1-7H;4*1H;;/q;2*-1;;;;;+2;+3/p-4
InChIKeyZCMPYGPZFHYXNM-UHFFFAOYSA-J
MW935.06 g/mol
LogP8.26
Rot. Bonds1

About dichlorozirconium;9H-fluoren-9-ide;9-(9H-fluoren-9-yl)-9H-fluorene;1H-inden-1-ide;zirconium(3+);dichloride

dichlorozirconium;9H-fluoren-9-ide;9-(9H-fluoren-9-yl)-9H-fluorene;1H-inden-1-ide;zirconium(3+);dichloride (PubChem CID 19077812) has the molecular formula C48H34Cl4Zr2- and a molecular weight of 935.06 g/mol. Its IUPAC name is dichlorozirconium;9H-fluoren-9-ide;9-(9H-fluoren-9-yl)-9H-fluorene;1H-inden-1-ide;zirconium(3+);dichloride.

Molecular Properties

Compound Namedichlorozirconium;9H-fluoren-9-ide;9-(9H-fluoren-9-yl)-9H-fluorene;1H-inden-1-ide;zirconium(3+);dichloride
PubChem CID19077812
Molecular FormulaC48H34Cl4Zr2-
Molecular Weight935.06 g/mol
Exact Mass929.95
IUPAC Namedichlorozirconium;9H-fluoren-9-ide;9-(9H-fluoren-9-yl)-9H-fluorene;1H-inden-1-ide;zirconium(3+);dichloride
SMILESCl[Zr]Cl.[Cl-].[Cl-].[Zr+3].c1ccc2[cH-]ccc2c1.c1ccc2c(c1)-c1ccccc1C2C1c2ccccc2-c2ccccc21.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C26H18.C13H9.C9H7.4ClH.2Zr/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)26-23-15-7-3-11-19(23)20-12-4-8-16-24(20)26;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-5-9-7-3-6-8(9)4-1;;;;;;/h1-16,25-26H;1-9H;1-7H;4*1H;;/q;2*-1;;;;;+2;+3/p-4
InChIKeyZCMPYGPZFHYXNM-UHFFFAOYSA-J
XLogP8.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.06
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;9H-fluoren-9-ide;9-(9H-fluoren-9-yl)-9H-fluorene;1H-inden-1-ide;zirconium(3+);dichloride?
The IUPAC name of dichlorozirconium;9H-fluoren-9-ide;9-(9H-fluoren-9-yl)-9H-fluorene;1H-inden-1-ide;zirconium(3+);dichloride (CID 19077812) is dichlorozirconium;9H-fluoren-9-ide;9-(9H-fluoren-9-yl)-9H-fluorene;1H-inden-1-ide;zirconium(3+);dichloride.
What is the SMILES notation for dichlorozirconium;9H-fluoren-9-ide;9-(9H-fluoren-9-yl)-9H-fluorene;1H-inden-1-ide;zirconium(3+);dichloride?
The canonical SMILES for dichlorozirconium;9H-fluoren-9-ide;9-(9H-fluoren-9-yl)-9H-fluorene;1H-inden-1-ide;zirconium(3+);dichloride is Cl[Zr]Cl.[Cl-].[Cl-].[Zr+3].c1ccc2[cH-]ccc2c1.c1ccc2c(c1)-c1ccccc1C2C1c2ccccc2-c2ccccc21.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of dichlorozirconium;9H-fluoren-9-ide;9-(9H-fluoren-9-yl)-9H-fluorene;1H-inden-1-ide;zirconium(3+);dichloride?
The InChIKey is ZCMPYGPZFHYXNM-UHFFFAOYSA-J. The full InChI is InChI=1S/C26H18.C13H9.C9H7.4ClH.2Zr/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)26-23-15-7-3-11-19(23)20-12-4-8-16-24(20)26;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-5-9-7-3-6-8(9)4-1;;;;;;/h1-16,25-26H;1-9H;1-7H;4*1H;;/q;2*-1;;;;;+2;+3/p-4.
What are the key properties of dichlorozirconium;9H-fluoren-9-ide;9-(9H-fluoren-9-yl)-9H-fluorene;1H-inden-1-ide;zirconium(3+);dichloride?
dichlorozirconium;9H-fluoren-9-ide;9-(9H-fluoren-9-yl)-9H-fluorene;1H-inden-1-ide;zirconium(3+);dichloride has a molecular weight of 935.06 g/mol, XLogP of 8.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;9H-fluoren-9-ide;9-(9H-fluoren-9-yl)-9H-fluorene;1H-inden-1-ide;zirconium(3+);dichloride is sourced from PubChem (CID 19077812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).