bis(1H-inden-1-id-2-yl(dipropyl)phosphane);zirconium(4+);difluoride

C30H40F2P2Zr — CID 87829356

IUPACbis(1H-inden-1-id-2-yl(dipropyl)phosphane);zirconium(4+);difluoride
SMILESCCCP(CCC)c1cc2ccccc2[cH-]1.CCCP(CCC)c1cc2ccccc2[cH-]1.[F-].[F-].[Zr+4]
InChIInChI=1S/2C15H20P.2FH.Zr/c2*1-3-9-16(10-4-2)15-11-13-7-5-6-8-14(13)12-15;;;/h2*5-8,11-12H,3-4,9-10H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyOFYDVLKUJWGPQE-UHFFFAOYSA-L
MW591.82 g/mol
LogP2.98
Rot. Bonds10

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

bis(1H-inden-1-id-2-yl(dipropyl)phosphane);zirconium(4+);difluoride (PubChem CID 87829356) has the molecular formula C30H40F2P2Zr and a molecular weight of 591.82 g/mol. Its IUPAC name is bis(1H-inden-1-id-2-yl(dipropyl)phosphane);zirconium(4+);difluoride.

Molecular Properties

Compound Namebis(1H-inden-1-id-2-yl(dipropyl)phosphane);zirconium(4+);difluoride
PubChem CID87829356
Molecular FormulaC30H40F2P2Zr
Molecular Weight591.82 g/mol
Exact Mass590.16
IUPAC Namebis(1H-inden-1-id-2-yl(dipropyl)phosphane);zirconium(4+);difluoride
SMILESCCCP(CCC)c1cc2ccccc2[cH-]1.CCCP(CCC)c1cc2ccccc2[cH-]1.[F-].[F-].[Zr+4]
InChIInChI=1S/2C15H20P.2FH.Zr/c2*1-3-9-16(10-4-2)15-11-13-7-5-6-8-14(13)12-15;;;/h2*5-8,11-12H,3-4,9-10H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyOFYDVLKUJWGPQE-UHFFFAOYSA-L
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.82
LogP ≤ 52.98
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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Related Compounds

dihexyl(1H-inden-1-id-2-yl)phosphane;1H-inden-1-id-2-yl(dipropyl)phosphane;zirconium(4+);dichloride
CID 87829716
ditert-butyl(1H-inden-1-id-2-yl)phosphane;1H-inden-1-id-2-yl(dipropyl)phosphane;zirconium(4+);dichloride
CID 87830275
bis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+)
CID 21096598
hafnium(4+);1H-inden-1-ide;1H-inden-1-id-2-yl(dipropyl)phosphane;dichloride
CID 21096230
bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 21095933
dibutyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride
CID 21096158
dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride
CID 21095943
bis(ditert-butyl(1H-inden-1-id-2-yl)phosphane);zirconium(4+);difluoride
CID 87829516
di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;titanium(4+);dichloride
CID 87828912
bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);titanium(4+);dichloride
CID 87828810
bis(1H-inden-1-id-2-yl(diphenyl)phosphane);zirconium(4+);difluoride
CID 87829129
hafnium;bis(1H-inden-1-id-2-yl(dimethyl)phosphane)
CID 87828607

Frequently Asked Questions

What is the IUPAC name of bis(1H-inden-1-id-2-yl(dipropyl)phosphane);zirconium(4+);difluoride?
The IUPAC name of bis(1H-inden-1-id-2-yl(dipropyl)phosphane);zirconium(4+);difluoride (CID 87829356) is bis(1H-inden-1-id-2-yl(dipropyl)phosphane);zirconium(4+);difluoride.
What is the SMILES notation for bis(1H-inden-1-id-2-yl(dipropyl)phosphane);zirconium(4+);difluoride?
The canonical SMILES for bis(1H-inden-1-id-2-yl(dipropyl)phosphane);zirconium(4+);difluoride is CCCP(CCC)c1cc2ccccc2[cH-]1.CCCP(CCC)c1cc2ccccc2[cH-]1.[F-].[F-].[Zr+4].
What is the InChIKey of bis(1H-inden-1-id-2-yl(dipropyl)phosphane);zirconium(4+);difluoride?
The InChIKey is OFYDVLKUJWGPQE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H20P.2FH.Zr/c2*1-3-9-16(10-4-2)15-11-13-7-5-6-8-14(13)12-15;;;/h2*5-8,11-12H,3-4,9-10H2,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(1H-inden-1-id-2-yl(dipropyl)phosphane);zirconium(4+);difluoride?
bis(1H-inden-1-id-2-yl(dipropyl)phosphane);zirconium(4+);difluoride has a molecular weight of 591.82 g/mol, XLogP of 2.98, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-inden-1-id-2-yl(dipropyl)phosphane);zirconium(4+);difluoride is sourced from PubChem (CID 87829356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).