Isopropylidene(3-methylcyclopentadienyl)(9-fluorenyl)zirconium dichloride

C22H20Cl2Zr — CID 102600867

IUPAC—
SMILESC[C]1[CH][CH][C](C(C)(C)[C]2[C]3C=CC=C[C]3[C]3C=CC=C[C]32)[CH]1.Cl[Zr]Cl
InChIInChI=1S/C22H20.2ClH.Zr/c1-15-12-13-16(14-15)22(2,3)21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21;;;/h4-14H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyQZFLSSXERAHLRG-UHFFFAOYSA-L
MW446.53 g/mol
LogP6.32
Rot. Bonds2

About Isopropylidene(3-methylcyclopentadienyl)(9-fluorenyl)zirconium dichloride

Isopropylidene(3-methylcyclopentadienyl)(9-fluorenyl)zirconium dichloride (PubChem CID 102600867) has the molecular formula C22H20Cl2Zr and a molecular weight of 446.53 g/mol.

Molecular Properties

Compound NameIsopropylidene(3-methylcyclopentadienyl)(9-fluorenyl)zirconium dichloride
PubChem CID102600867
Molecular FormulaC22H20Cl2Zr
Molecular Weight446.53 g/mol
Exact Mass444.00
IUPAC Name—
SMILESC[C]1[CH][CH][C](C(C)(C)[C]2[C]3C=CC=C[C]3[C]3C=CC=C[C]32)[CH]1.Cl[Zr]Cl
InChIInChI=1S/C22H20.2ClH.Zr/c1-15-12-13-16(14-15)22(2,3)21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21;;;/h4-14H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyQZFLSSXERAHLRG-UHFFFAOYSA-L
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.53
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Bis(2-methylindenyl)zirconiumdichloride
CID 16213039
2-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene
CID 18402034
(3aR)-1-[2-[(3aR)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-indene
CID 134866152
Zirconium, dichloro(eta10-2,4-cyclopendadien-1-ylidene(1-methylethylidene)-9H-fluoren-9-ylidene)-
CID 102602477
Ethylenebis(1-indenyl)titanium(iv)dichloride
CID 102602582
Bis(heptamethylindenyl)cobalt(II)
CID 132281423
CID 134902129
CID 134902129
CID 134903182
CID 134903182
CID 134991814
CID 134991814
CID 134991816
CID 134991816
CID 134991817
CID 134991817
CID 134992249
CID 134992249

Frequently Asked Questions

What is the IUPAC name of Isopropylidene(3-methylcyclopentadienyl)(9-fluorenyl)zirconium dichloride?
The IUPAC name of Isopropylidene(3-methylcyclopentadienyl)(9-fluorenyl)zirconium dichloride (CID 102600867) is not available.
What is the SMILES notation for Isopropylidene(3-methylcyclopentadienyl)(9-fluorenyl)zirconium dichloride?
The canonical SMILES for Isopropylidene(3-methylcyclopentadienyl)(9-fluorenyl)zirconium dichloride is C[C]1[CH][CH][C](C(C)(C)[C]2[C]3C=CC=C[C]3[C]3C=CC=C[C]32)[CH]1.Cl[Zr]Cl.
What is the InChIKey of Isopropylidene(3-methylcyclopentadienyl)(9-fluorenyl)zirconium dichloride?
The InChIKey is QZFLSSXERAHLRG-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H20.2ClH.Zr/c1-15-12-13-16(14-15)22(2,3)21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21;;;/h4-14H,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of Isopropylidene(3-methylcyclopentadienyl)(9-fluorenyl)zirconium dichloride?
Isopropylidene(3-methylcyclopentadienyl)(9-fluorenyl)zirconium dichloride has a molecular weight of 446.53 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Isopropylidene(3-methylcyclopentadienyl)(9-fluorenyl)zirconium dichloride is sourced from PubChem (CID 102600867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).