ethyl-bis(1H-inden-1-id-2-yl)phosphane;zirconium(4+);dichloride

C20H17Cl2PZr — CID 21094958

IUPACethyl-bis(1H-inden-1-id-2-yl)phosphane;zirconium(4+);dichloride
SMILESCCP(c1cc2ccccc2[cH-]1)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C20H17P.2ClH.Zr/c1-2-21(19-11-15-7-3-4-8-16(15)12-19)20-13-17-9-5-6-10-18(17)14-20;;;/h3-14H,2H2,1H3;2*1H;/q-2;;;+4/p-2
InChIKeyVISBOSVBUOFJFP-UHFFFAOYSA-L
MW450.46 g/mol
LogP-1.11
Rot. Bonds3

About ethyl-bis(1H-inden-1-id-2-yl)phosphane;zirconium(4+);dichloride

ethyl-bis(1H-inden-1-id-2-yl)phosphane;zirconium(4+);dichloride (PubChem CID 21094958) has the molecular formula C20H17Cl2PZr and a molecular weight of 450.46 g/mol. Its IUPAC name is ethyl-bis(1H-inden-1-id-2-yl)phosphane;zirconium(4+);dichloride.

Molecular Properties

Compound Nameethyl-bis(1H-inden-1-id-2-yl)phosphane;zirconium(4+);dichloride
PubChem CID21094958
Molecular FormulaC20H17Cl2PZr
Molecular Weight450.46 g/mol
Exact Mass447.95
IUPAC Nameethyl-bis(1H-inden-1-id-2-yl)phosphane;zirconium(4+);dichloride
SMILESCCP(c1cc2ccccc2[cH-]1)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C20H17P.2ClH.Zr/c1-2-21(19-11-15-7-3-4-8-16(15)12-19)20-13-17-9-5-6-10-18(17)14-20;;;/h3-14H,2H2,1H3;2*1H;/q-2;;;+4/p-2
InChIKeyVISBOSVBUOFJFP-UHFFFAOYSA-L
XLogP-1.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-bis(1H-inden-1-id-2-yl)phosphane;zirconium(4+);dichloride?
The IUPAC name of ethyl-bis(1H-inden-1-id-2-yl)phosphane;zirconium(4+);dichloride (CID 21094958) is ethyl-bis(1H-inden-1-id-2-yl)phosphane;zirconium(4+);dichloride.
What is the SMILES notation for ethyl-bis(1H-inden-1-id-2-yl)phosphane;zirconium(4+);dichloride?
The canonical SMILES for ethyl-bis(1H-inden-1-id-2-yl)phosphane;zirconium(4+);dichloride is CCP(c1cc2ccccc2[cH-]1)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of ethyl-bis(1H-inden-1-id-2-yl)phosphane;zirconium(4+);dichloride?
The InChIKey is VISBOSVBUOFJFP-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H17P.2ClH.Zr/c1-2-21(19-11-15-7-3-4-8-16(15)12-19)20-13-17-9-5-6-10-18(17)14-20;;;/h3-14H,2H2,1H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of ethyl-bis(1H-inden-1-id-2-yl)phosphane;zirconium(4+);dichloride?
ethyl-bis(1H-inden-1-id-2-yl)phosphane;zirconium(4+);dichloride has a molecular weight of 450.46 g/mol, XLogP of -1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-bis(1H-inden-1-id-2-yl)phosphane;zirconium(4+);dichloride is sourced from PubChem (CID 21094958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).