9H-fluoren-9-ide;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;difluoride

C29H23F2HfP — CID 87830235

IUPAC9H-fluoren-9-ide;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;difluoride
SMILESCc1ccccc1Pc1cc2ccccc2[cH-]1.[F-].[F-].[Hf+4].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C16H14P.C13H9.2FH.Hf/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;2*1H;/q2*-1;;;+4/p-2
InChIKeyYUCOMMDIUHFEFD-UHFFFAOYSA-L
MW618.96 g/mol
LogP1.21
Rot. Bonds2

About 9H-fluoren-9-ide;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;difluoride

9H-fluoren-9-ide;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;difluoride (PubChem CID 87830235) has the molecular formula C29H23F2HfP and a molecular weight of 618.96 g/mol. Its IUPAC name is 9H-fluoren-9-ide;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;difluoride.

Molecular Properties

Compound Name9H-fluoren-9-ide;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;difluoride
PubChem CID87830235
Molecular FormulaC29H23F2HfP
Molecular Weight618.96 g/mol
Exact Mass620.10
IUPAC Name9H-fluoren-9-ide;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;difluoride
SMILESCc1ccccc1Pc1cc2ccccc2[cH-]1.[F-].[F-].[Hf+4].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C16H14P.C13H9.2FH.Hf/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;2*1H;/q2*-1;;;+4/p-2
InChIKeyYUCOMMDIUHFEFD-UHFFFAOYSA-L
XLogP1.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.96
LogP ≤ 51.21
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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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ide;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;difluoride?
The IUPAC name of 9H-fluoren-9-ide;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;difluoride (CID 87830235) is 9H-fluoren-9-ide;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;difluoride.
What is the SMILES notation for 9H-fluoren-9-ide;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;difluoride?
The canonical SMILES for 9H-fluoren-9-ide;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;difluoride is Cc1ccccc1Pc1cc2ccccc2[cH-]1.[F-].[F-].[Hf+4].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of 9H-fluoren-9-ide;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;difluoride?
The InChIKey is YUCOMMDIUHFEFD-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H14P.C13H9.2FH.Hf/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;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 9H-fluoren-9-ide;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;difluoride?
9H-fluoren-9-ide;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;difluoride has a molecular weight of 618.96 g/mol, XLogP of 1.21, 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;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;difluoride is sourced from PubChem (CID 87830235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).