dichloro(ethylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yl)ethanol

C26H24Cl2OZr-2 — CID 87993746

IUPACdichloro(ethylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yl)ethanol
SMILESCC=[Zr](Cl)Cl.OCCc1c[cH-]c2ccccc12.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C11H11O.C2H4.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;12-8-7-10-6-5-9-3-1-2-4-11(9)10;1-2;;;/h1-9H;1-6,12H,7-8H2;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyZIVRBYCRRMKTPF-UHFFFAOYSA-L
MW514.61 g/mol
LogP7.54
Rot. Bonds2

About dichloro(ethylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yl)ethanol

dichloro(ethylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yl)ethanol (PubChem CID 87993746) has the molecular formula C26H24Cl2OZr-2 and a molecular weight of 514.61 g/mol. Its IUPAC name is dichloro(ethylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yl)ethanol.

Molecular Properties

Compound Namedichloro(ethylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yl)ethanol
PubChem CID87993746
Molecular FormulaC26H24Cl2OZr-2
Molecular Weight514.61 g/mol
Exact Mass512.03
IUPAC Namedichloro(ethylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yl)ethanol
SMILESCC=[Zr](Cl)Cl.OCCc1c[cH-]c2ccccc12.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C11H11O.C2H4.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;12-8-7-10-6-5-9-3-1-2-4-11(9)10;1-2;;;/h1-9H;1-6,12H,7-8H2;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyZIVRBYCRRMKTPF-UHFFFAOYSA-L
XLogP7.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.61
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 dichloro(ethylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yl)ethanol?
The IUPAC name of dichloro(ethylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yl)ethanol (CID 87993746) is dichloro(ethylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yl)ethanol.
What is the SMILES notation for dichloro(ethylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yl)ethanol?
The canonical SMILES for dichloro(ethylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yl)ethanol is CC=[Zr](Cl)Cl.OCCc1c[cH-]c2ccccc12.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of dichloro(ethylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yl)ethanol?
The InChIKey is ZIVRBYCRRMKTPF-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C11H11O.C2H4.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;12-8-7-10-6-5-9-3-1-2-4-11(9)10;1-2;;;/h1-9H;1-6,12H,7-8H2;1H,2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(ethylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yl)ethanol?
dichloro(ethylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yl)ethanol has a molecular weight of 514.61 g/mol, XLogP of 7.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(ethylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yl)ethanol is sourced from PubChem (CID 87993746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).