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

C29H23PZr — CID 87829494

IUPAC9H-fluoren-9-ide;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;zirconium(2+)
SMILESCc1ccccc1Pc1cc2ccccc2[cH-]1.[Zr+2].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C16H14P.C13H9.Zr/c1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;/h2-11,17H,1H3;1-9H;/q2*-1;+2
InChIKeyQCGFDMTVCYYRQC-UHFFFAOYSA-N
MW493.70 g/mol
LogP7.21
Rot. Bonds2

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

9H-fluoren-9-ide;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;zirconium(2+) (PubChem CID 87829494) has the molecular formula C29H23PZr and a molecular weight of 493.70 g/mol. Its IUPAC name is 9H-fluoren-9-ide;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;zirconium(2+).

Molecular Properties

Compound Name9H-fluoren-9-ide;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;zirconium(2+)
PubChem CID87829494
Molecular FormulaC29H23PZr
Molecular Weight493.70 g/mol
Exact Mass492.06
IUPAC Name9H-fluoren-9-ide;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;zirconium(2+)
SMILESCc1ccccc1Pc1cc2ccccc2[cH-]1.[Zr+2].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C16H14P.C13H9.Zr/c1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;/h2-11,17H,1H3;1-9H;/q2*-1;+2
InChIKeyQCGFDMTVCYYRQC-UHFFFAOYSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.70
LogP ≤ 57.21
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

9H-fluoren-9-ide;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;difluoride
CID 87830235
hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane
CID 87865343
bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride
CID 21096471
4,7-dimethyl-1H-inden-1-ide;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane
CID 87830434
hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-4-phenyl-1H-inden-1-ide
CID 87829425
hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;penta-1,3-diene
CID 161130740
4,7-dimethyl-1H-inden-1-ide;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;penta-1,3-diene;zirconium(2+)
CID 159312058
5-butyl-1-methylcyclopenta-1,3-diene;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;dichloride
CID 159371146
bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride
CID 21096461
1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;titanium(4+);difluoride
CID 87829362
5-butyl-1-methylcyclopenta-1,3-diene;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;penta-1,3-diene
CID 158308798
9H-fluoren-9-ide;1H-inden-1-id-2-yl(dimethyl)phosphane;zirconium(2+)
CID 87829462

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ide;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;zirconium(2+)?
The IUPAC name of 9H-fluoren-9-ide;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;zirconium(2+) (CID 87829494) is 9H-fluoren-9-ide;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;zirconium(2+).
What is the SMILES notation for 9H-fluoren-9-ide;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;zirconium(2+)?
The canonical SMILES for 9H-fluoren-9-ide;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;zirconium(2+) is Cc1ccccc1Pc1cc2ccccc2[cH-]1.[Zr+2].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of 9H-fluoren-9-ide;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;zirconium(2+)?
The InChIKey is QCGFDMTVCYYRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14P.C13H9.Zr/c1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;/h2-11,17H,1H3;1-9H;/q2*-1;+2.
What are the key properties of 9H-fluoren-9-ide;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;zirconium(2+)?
9H-fluoren-9-ide;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;zirconium(2+) has a molecular weight of 493.70 g/mol, XLogP of 7.21, 2 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-(2-methylphenyl)phosphane;zirconium(2+) is sourced from PubChem (CID 87829494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).