Zirconium, dichloro(eta10-2,4-cyclopendadien-1-ylidene(1-methylethylidene)-9H-fluoren-9-ylidene)-

C21H18Cl2Zr — CID 102602477

IUPAC—
SMILESCC(C)([C]1[CH][CH][CH][CH]1)[C]1[C]2C=CC=C[C]2[C]2C=CC=C[C]21.Cl[Zr]Cl
InChIInChI=1S/C21H18.2ClH.Zr/c1-21(2,15-9-3-4-10-15)20-18-13-7-5-11-16(18)17-12-6-8-14-19(17)20;;;/h3-14H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyUCOIFGAMWSKLBG-UHFFFAOYSA-L
MW432.51 g/mol
LogP5.93
Rot. Bonds2

About Zirconium, dichloro(eta10-2,4-cyclopendadien-1-ylidene(1-methylethylidene)-9H-fluoren-9-ylidene)-

Zirconium, dichloro(eta10-2,4-cyclopendadien-1-ylidene(1-methylethylidene)-9H-fluoren-9-ylidene)- (PubChem CID 102602477) has the molecular formula C21H18Cl2Zr and a molecular weight of 432.51 g/mol.

Molecular Properties

Compound NameZirconium, dichloro(eta10-2,4-cyclopendadien-1-ylidene(1-methylethylidene)-9H-fluoren-9-ylidene)-
PubChem CID102602477
Molecular FormulaC21H18Cl2Zr
Molecular Weight432.51 g/mol
Exact Mass429.98
IUPAC Name—
SMILESCC(C)([C]1[CH][CH][CH][CH]1)[C]1[C]2C=CC=C[C]2[C]2C=CC=C[C]21.Cl[Zr]Cl
InChIInChI=1S/C21H18.2ClH.Zr/c1-21(2,15-9-3-4-10-15)20-18-13-7-5-11-16(18)17-12-6-8-14-19(17)20;;;/h3-14H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyUCOIFGAMWSKLBG-UHFFFAOYSA-L
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.51
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of Zirconium, dichloro(eta10-2,4-cyclopendadien-1-ylidene(1-methylethylidene)-9H-fluoren-9-ylidene)-?
The IUPAC name of Zirconium, dichloro(eta10-2,4-cyclopendadien-1-ylidene(1-methylethylidene)-9H-fluoren-9-ylidene)- (CID 102602477) is not available.
What is the SMILES notation for Zirconium, dichloro(eta10-2,4-cyclopendadien-1-ylidene(1-methylethylidene)-9H-fluoren-9-ylidene)-?
The canonical SMILES for Zirconium, dichloro(eta10-2,4-cyclopendadien-1-ylidene(1-methylethylidene)-9H-fluoren-9-ylidene)- is CC(C)([C]1[CH][CH][CH][CH]1)[C]1[C]2C=CC=C[C]2[C]2C=CC=C[C]21.Cl[Zr]Cl.
What is the InChIKey of Zirconium, dichloro(eta10-2,4-cyclopendadien-1-ylidene(1-methylethylidene)-9H-fluoren-9-ylidene)-?
The InChIKey is UCOIFGAMWSKLBG-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H18.2ClH.Zr/c1-21(2,15-9-3-4-10-15)20-18-13-7-5-11-16(18)17-12-6-8-14-19(17)20;;;/h3-14H,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of Zirconium, dichloro(eta10-2,4-cyclopendadien-1-ylidene(1-methylethylidene)-9H-fluoren-9-ylidene)-?
Zirconium, dichloro(eta10-2,4-cyclopendadien-1-ylidene(1-methylethylidene)-9H-fluoren-9-ylidene)- has a molecular weight of 432.51 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Zirconium, dichloro(eta10-2,4-cyclopendadien-1-ylidene(1-methylethylidene)-9H-fluoren-9-ylidene)- is sourced from PubChem (CID 102602477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).