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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).