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

C16H14HfP- — CID 87865343

IUPAChafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane
SMILESCc1ccccc1Pc1cc2ccccc2[cH-]1.[Hf]
InChIInChI=1S/C16H14P.Hf/c1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;/h2-11,17H,1H3;/q-1;
InChIKeyJYOMIZINOSDFDX-UHFFFAOYSA-N
MW415.75 g/mol
LogP3.49
Rot. Bonds2

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

hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane (PubChem CID 87865343) has the molecular formula C16H14HfP- and a molecular weight of 415.75 g/mol. Its IUPAC name is hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane.

Molecular Properties

Compound Namehafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane
PubChem CID87865343
Molecular FormulaC16H14HfP-
Molecular Weight415.75 g/mol
Exact Mass417.03
IUPAC Namehafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane
SMILESCc1ccccc1Pc1cc2ccccc2[cH-]1.[Hf]
InChIInChI=1S/C16H14P.Hf/c1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;/h2-11,17H,1H3;/q-1;
InChIKeyJYOMIZINOSDFDX-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.75
LogP ≤ 53.49
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;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;zirconium(2+)
CID 87829494
9H-fluoren-9-ide;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;difluoride
CID 87830235
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-1H-inden-1-ide;penta-1,3-diene
CID 161130740
hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-4-phenyl-1H-inden-1-ide
CID 87829425
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
4,7-dimethyl-1H-inden-1-ide;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;penta-1,3-diene;zirconium(2+)
CID 159312058
2-methyl-1H-inden-1-ide;praseodymium
CID 150206996

Frequently Asked Questions

What is the IUPAC name of hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane?
The IUPAC name of hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane (CID 87865343) is hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane.
What is the SMILES notation for hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane?
The canonical SMILES for hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane is Cc1ccccc1Pc1cc2ccccc2[cH-]1.[Hf].
What is the InChIKey of hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane?
The InChIKey is JYOMIZINOSDFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14P.Hf/c1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;/h2-11,17H,1H3;/q-1;.
What are the key properties of hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane?
hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane has a molecular weight of 415.75 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane is sourced from PubChem (CID 87865343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).