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

C42H32F2P2Zr — CID 87829129

IUPACbis(1H-inden-1-id-2-yl(diphenyl)phosphane);zirconium(4+);difluoride
SMILES[F-].[F-].[Zr+4].c1ccc(P(c2ccccc2)c2cc3ccccc3[cH-]2)cc1.c1ccc(P(c2ccccc2)c2cc3ccccc3[cH-]2)cc1
InChIInChI=1S/2C21H16P.2FH.Zr/c2*1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-21;;;/h2*1-16H;2*1H;/q2*-1;;;+4/p-2
InChIKeyWZACNUIXTHUTIL-UHFFFAOYSA-L
MW727.89 g/mol
LogP2.64
Rot. Bonds6

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

bis(1H-inden-1-id-2-yl(diphenyl)phosphane);zirconium(4+);difluoride (PubChem CID 87829129) has the molecular formula C42H32F2P2Zr and a molecular weight of 727.89 g/mol. Its IUPAC name is bis(1H-inden-1-id-2-yl(diphenyl)phosphane);zirconium(4+);difluoride.

Molecular Properties

Compound Namebis(1H-inden-1-id-2-yl(diphenyl)phosphane);zirconium(4+);difluoride
PubChem CID87829129
Molecular FormulaC42H32F2P2Zr
Molecular Weight727.89 g/mol
Exact Mass726.10
IUPAC Namebis(1H-inden-1-id-2-yl(diphenyl)phosphane);zirconium(4+);difluoride
SMILES[F-].[F-].[Zr+4].c1ccc(P(c2ccccc2)c2cc3ccccc3[cH-]2)cc1.c1ccc(P(c2ccccc2)c2cc3ccccc3[cH-]2)cc1
InChIInChI=1S/2C21H16P.2FH.Zr/c2*1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-21;;;/h2*1-16H;2*1H;/q2*-1;;;+4/p-2
InChIKeyWZACNUIXTHUTIL-UHFFFAOYSA-L
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500727.89
LogP ≤ 52.64
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

bis(1H-inden-1-id-2-yl(diphenyl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 21096279
bis(1H-inden-1-id-2-yl(diphenyl)phosphane);penta-1,3-diene;titanium(2+)
CID 159889901
bis(cyclopenta-1,3-diene);bis(1H-inden-1-id-2-yl(diphenyl)phosphane);bis(titanium(2+));dichloride
CID 21096297
bis(ditert-butyl(1H-inden-1-id-2-yl)phosphane);zirconium(4+);difluoride
CID 87829516
hafnium(4+);1H-inden-1-id-2-yl(diphenyl)phosphane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride
CID 21096330
1H-inden-1-id-2-yl(diphenyl)phosphane;2-methyl-1H-inden-1-ide;penta-1,3-diene;titanium(2+)
CID 161109050
bis(ditert-butyl(1H-inden-1-id-2-yl)phosphane);titanium(4+);difluoride
CID 87829057
1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(diphenyl)phosphane;dichloride
CID 21096303
1H-inden-1-id-2-yl(diphenyl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;zirconium(4+);difluoride
CID 87829441
1H-inden-1-id-2-yl(diphenyl)phosphane;penta-1,3-diene;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(2+)
CID 159298180
hafnium;bis(1H-inden-1-id-2-yl(dimethyl)phosphane)
CID 87828607
bis(1H-inden-1-id-2-yl(dimethyl)phosphane);titanium(2+)
CID 21096581

Frequently Asked Questions

What is the IUPAC name of bis(1H-inden-1-id-2-yl(diphenyl)phosphane);zirconium(4+);difluoride?
The IUPAC name of bis(1H-inden-1-id-2-yl(diphenyl)phosphane);zirconium(4+);difluoride (CID 87829129) is bis(1H-inden-1-id-2-yl(diphenyl)phosphane);zirconium(4+);difluoride.
What is the SMILES notation for bis(1H-inden-1-id-2-yl(diphenyl)phosphane);zirconium(4+);difluoride?
The canonical SMILES for bis(1H-inden-1-id-2-yl(diphenyl)phosphane);zirconium(4+);difluoride is [F-].[F-].[Zr+4].c1ccc(P(c2ccccc2)c2cc3ccccc3[cH-]2)cc1.c1ccc(P(c2ccccc2)c2cc3ccccc3[cH-]2)cc1.
What is the InChIKey of bis(1H-inden-1-id-2-yl(diphenyl)phosphane);zirconium(4+);difluoride?
The InChIKey is WZACNUIXTHUTIL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H16P.2FH.Zr/c2*1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-21;;;/h2*1-16H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(1H-inden-1-id-2-yl(diphenyl)phosphane);zirconium(4+);difluoride?
bis(1H-inden-1-id-2-yl(diphenyl)phosphane);zirconium(4+);difluoride has a molecular weight of 727.89 g/mol, XLogP of 2.64, 6 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(diphenyl)phosphane);zirconium(4+);difluoride is sourced from PubChem (CID 87829129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).