9H-fluoren-9-ide;1H-inden-1-id-2-yl(dimethyl)phosphane;zirconium(2+)

C24H21PZr — CID 87829462

IUPAC9H-fluoren-9-ide;1H-inden-1-id-2-yl(dimethyl)phosphane;zirconium(2+)
SMILESCP(C)c1cc2ccccc2[cH-]1.[Zr+2].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C11H12P.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-12(2)11-7-9-5-3-4-6-10(9)8-11;/h1-9H;3-8H,1-2H3;/q2*-1;+2
InChIKeyMDYJWTMIUDLAAA-UHFFFAOYSA-N
MW431.63 g/mol
LogP6.63
Rot. Bonds1

About 9H-fluoren-9-ide;1H-inden-1-id-2-yl(dimethyl)phosphane;zirconium(2+)

9H-fluoren-9-ide;1H-inden-1-id-2-yl(dimethyl)phosphane;zirconium(2+) (PubChem CID 87829462) has the molecular formula C24H21PZr and a molecular weight of 431.63 g/mol. Its IUPAC name is 9H-fluoren-9-ide;1H-inden-1-id-2-yl(dimethyl)phosphane;zirconium(2+).

Molecular Properties

Compound Name9H-fluoren-9-ide;1H-inden-1-id-2-yl(dimethyl)phosphane;zirconium(2+)
PubChem CID87829462
Molecular FormulaC24H21PZr
Molecular Weight431.63 g/mol
Exact Mass430.04
IUPAC Name9H-fluoren-9-ide;1H-inden-1-id-2-yl(dimethyl)phosphane;zirconium(2+)
SMILESCP(C)c1cc2ccccc2[cH-]1.[Zr+2].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C11H12P.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-12(2)11-7-9-5-3-4-6-10(9)8-11;/h1-9H;3-8H,1-2H3;/q2*-1;+2
InChIKeyMDYJWTMIUDLAAA-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.63
LogP ≤ 56.63
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

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
ditert-butyl(1H-inden-1-id-2-yl)phosphane;9H-fluoren-9-ide;zirconium(4+);dichloride
CID 87828288
cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-id-2-yl(dimethyl)phosphane
CID 154437007
1H-inden-1-id-2-yl(dimethyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene;zirconium(2+)
CID 87828125
bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(1H-inden-1-id-2-yl(dimethyl)phosphane);bis(zirconium(2+));dichloride
CID 21096050
bis(di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane);bis(1H-inden-1-id-2-yl(dimethyl)phosphane);bis(zirconium(2+));dichloride
CID 21096067
di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane;9H-fluoren-9-ide;zirconium(4+);dichloride
CID 87828526
ethane;bis(9H-fluoren-9-ide);zirconium(2+)
CID 23215639
1H-inden-1-id-2-yl(dimethyl)phosphane;2-methyl-1H-inden-1-ide;penta-1,3-diene;zirconium(2+)
CID 161153561
tetrakis(dimethyl-(4-phenyl-1H-inden-1-id-2-yl)phosphane);bis(zirconium(2+));dichloride
CID 21096577
bis(ditert-butyl(1H-inden-1-id-2-yl)phosphane);zirconium(4+);difluoride
CID 87829516

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ide;1H-inden-1-id-2-yl(dimethyl)phosphane;zirconium(2+)?
The IUPAC name of 9H-fluoren-9-ide;1H-inden-1-id-2-yl(dimethyl)phosphane;zirconium(2+) (CID 87829462) is 9H-fluoren-9-ide;1H-inden-1-id-2-yl(dimethyl)phosphane;zirconium(2+).
What is the SMILES notation for 9H-fluoren-9-ide;1H-inden-1-id-2-yl(dimethyl)phosphane;zirconium(2+)?
The canonical SMILES for 9H-fluoren-9-ide;1H-inden-1-id-2-yl(dimethyl)phosphane;zirconium(2+) is CP(C)c1cc2ccccc2[cH-]1.[Zr+2].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of 9H-fluoren-9-ide;1H-inden-1-id-2-yl(dimethyl)phosphane;zirconium(2+)?
The InChIKey is MDYJWTMIUDLAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C11H12P.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-12(2)11-7-9-5-3-4-6-10(9)8-11;/h1-9H;3-8H,1-2H3;/q2*-1;+2.
What are the key properties of 9H-fluoren-9-ide;1H-inden-1-id-2-yl(dimethyl)phosphane;zirconium(2+)?
9H-fluoren-9-ide;1H-inden-1-id-2-yl(dimethyl)phosphane;zirconium(2+) has a molecular weight of 431.63 g/mol, XLogP of 6.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ide;1H-inden-1-id-2-yl(dimethyl)phosphane;zirconium(2+) is sourced from PubChem (CID 87829462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).