hafnium;bis(1H-inden-1-id-2-yl(dimethyl)phosphane)

C22H24HfP2-2 — CID 87828607

IUPAChafnium;bis(1H-inden-1-id-2-yl(dimethyl)phosphane)
SMILESCP(C)c1cc2ccccc2[cH-]1.CP(C)c1cc2ccccc2[cH-]1.[Hf]
InChIInChI=1S/2C11H12P.Hf/c2*1-12(2)11-7-9-5-3-4-6-10(9)8-11;/h2*3-8H,1-2H3;/q2*-1;
InChIKeyWFHFCWKVTVRXHG-UHFFFAOYSA-N
MW528.87 g/mol
LogP5.85
Rot. Bonds2

About hafnium;bis(1H-inden-1-id-2-yl(dimethyl)phosphane)

hafnium;bis(1H-inden-1-id-2-yl(dimethyl)phosphane) (PubChem CID 87828607) has the molecular formula C22H24HfP2-2 and a molecular weight of 528.87 g/mol. Its IUPAC name is hafnium;bis(1H-inden-1-id-2-yl(dimethyl)phosphane).

Molecular Properties

Compound Namehafnium;bis(1H-inden-1-id-2-yl(dimethyl)phosphane)
PubChem CID87828607
Molecular FormulaC22H24HfP2-2
Molecular Weight528.87 g/mol
Exact Mass530.08
IUPAC Namehafnium;bis(1H-inden-1-id-2-yl(dimethyl)phosphane)
SMILESCP(C)c1cc2ccccc2[cH-]1.CP(C)c1cc2ccccc2[cH-]1.[Hf]
InChIInChI=1S/2C11H12P.Hf/c2*1-12(2)11-7-9-5-3-4-6-10(9)8-11;/h2*3-8H,1-2H3;/q2*-1;
InChIKeyWFHFCWKVTVRXHG-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.87
LogP ≤ 55.85
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(dimethyl)phosphane);titanium(2+)
CID 21096581
9H-fluoren-9-ide;1H-inden-1-id-2-yl(dimethyl)phosphane;zirconium(2+)
CID 87829462
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
1H-inden-1-id-2-yl(dimethyl)phosphane;2-methyl-1H-inden-1-ide;penta-1,3-diene;zirconium(2+)
CID 161153561
bis(ditert-butyl(1H-inden-1-id-2-yl)phosphane);titanium(4+);difluoride
CID 87829057
bis(ditert-butyl(1H-inden-1-id-2-yl)phosphane);zirconium(4+);difluoride
CID 87829516
bis(1H-inden-1-id-2-yl-di(propan-2-yl)phosphane);titanium(4+);dichloride
CID 21096564
5-butyl-1-methylcyclopenta-1,3-diene;1H-inden-1-id-2-yl(dimethyl)phosphane;titanium(4+);dichloride
CID 159337027
1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(dimethyl)phosphane;dichloride
CID 21096108

Frequently Asked Questions

What is the IUPAC name of hafnium;bis(1H-inden-1-id-2-yl(dimethyl)phosphane)?
The IUPAC name of hafnium;bis(1H-inden-1-id-2-yl(dimethyl)phosphane) (CID 87828607) is hafnium;bis(1H-inden-1-id-2-yl(dimethyl)phosphane).
What is the SMILES notation for hafnium;bis(1H-inden-1-id-2-yl(dimethyl)phosphane)?
The canonical SMILES for hafnium;bis(1H-inden-1-id-2-yl(dimethyl)phosphane) is CP(C)c1cc2ccccc2[cH-]1.CP(C)c1cc2ccccc2[cH-]1.[Hf].
What is the InChIKey of hafnium;bis(1H-inden-1-id-2-yl(dimethyl)phosphane)?
The InChIKey is WFHFCWKVTVRXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12P.Hf/c2*1-12(2)11-7-9-5-3-4-6-10(9)8-11;/h2*3-8H,1-2H3;/q2*-1;.
What are the key properties of hafnium;bis(1H-inden-1-id-2-yl(dimethyl)phosphane)?
hafnium;bis(1H-inden-1-id-2-yl(dimethyl)phosphane) has a molecular weight of 528.87 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;bis(1H-inden-1-id-2-yl(dimethyl)phosphane) is sourced from PubChem (CID 87828607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).