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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Related Compounds

Bis(2-methyl-indenyl) zirconium dichloride
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
CID 102600867
CID 102600867
CID 102602582
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 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).