tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride

C56H44Cl2Zr2-2 — CID 18469369

IUPACtetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride
SMILESCc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.[Cl-].[Cl-].[Zr+2].[Zr+2]
InChIInChI=1S/4C14H11.2ClH.2Zr/c4*1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;;;;/h4*2-7H,9H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2
InChIKeyADNGWERQMAGKSI-UHFFFAOYSA-L
MW970.32 g/mol
LogP7.47
Rot. Bonds

About tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride

tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride (PubChem CID 18469369) has the molecular formula C56H44Cl2Zr2-2 and a molecular weight of 970.32 g/mol. Its IUPAC name is tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride.

Molecular Properties

Compound Nametetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride
PubChem CID18469369
Molecular FormulaC56H44Cl2Zr2-2
Molecular Weight970.32 g/mol
Exact Mass966.09
IUPAC Nametetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride
SMILESCc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.[Cl-].[Cl-].[Zr+2].[Zr+2]
InChIInChI=1S/4C14H11.2ClH.2Zr/c4*1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;;;;/h4*2-7H,9H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2
InChIKeyADNGWERQMAGKSI-UHFFFAOYSA-L
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.32
LogP ≤ 57.47
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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Related Compounds

bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride
CID 87200949
methanol;2-methyl-1,9-dihydrofluoren-1-ide;titanium
CID 174331013
2-methyl-1,9-dihydrofluoren-1-ide;trichlorotitanium(1+)
CID 87704393
dichlorozirconium(2+);bis(2-methyl-1,9-dihydrofluoren-1-ide)
CID 87824196
CID 173312572
CID 173312572
CID 173312560
CID 173312560
bis(2,7-ditert-butyl-4-methyl-1,9-dihydrofluoren-1-ide);bis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(4+));tetrachloride
CID 161372658
bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)
CID 22027323
bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride
CID 157229521
1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
CID 173274804
CID 154493054
CID 154493054
lithium 2-cyclopenta-2,4-dien-1-yl-1,9-dihydrofluoren-1-ide
CID 161283415

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride?
The IUPAC name of tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride (CID 18469369) is tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride.
What is the SMILES notation for tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride?
The canonical SMILES for tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride is Cc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.Cc1[c-]c2c(cc1)-c1ccccc1C2.[Cl-].[Cl-].[Zr+2].[Zr+2].
What is the InChIKey of tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride?
The InChIKey is ADNGWERQMAGKSI-UHFFFAOYSA-L. The full InChI is InChI=1S/4C14H11.2ClH.2Zr/c4*1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;;;;/h4*2-7H,9H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2.
What are the key properties of tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride?
tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride has a molecular weight of 970.32 g/mol, XLogP of 7.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride is sourced from PubChem (CID 18469369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).