4,7-dimethyl-1H-inden-1-ide;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane

C27H25HfP-2 — CID 87830434

About 4,7-dimethyl-1H-inden-1-ide;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane

4,7-dimethyl-1H-inden-1-ide;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane (PubChem CID 87830434) has the molecular formula C27H25HfP-2 and a molecular weight of 558.96 g/mol. Its IUPAC name is 4,7-dimethyl-1H-inden-1-ide;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane.

Molecular Properties

• Compound Name: 4,7-dimethyl-1H-inden-1-ide;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane
• PubChem CID: 87830434
• Molecular Formula: C27H25HfP-2
• Molecular Weight: 558.96 g/mol
• Exact Mass: 560.12
• IUPAC Name: 4,7-dimethyl-1H-inden-1-ide;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane
• SMILES: Cc1ccc(C)c2[cH-]ccc12.Cc1ccccc1Pc1cc2ccccc2[cH-]1.[Hf]
• InChI: InChI=1S/C16H14P.C11H11.Hf/c1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;1-8-6-7-9(2)11-5-3-4-10(8)11;/h2-11,17H,1H3;3-7H,1-2H3;/q2*-1
• InChIKey: ORDRODLBXCWFGB-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.96
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1H-inden-1-ide;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane?

The IUPAC name of 4,7-dimethyl-1H-inden-1-ide;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane (CID 87830434) is 4,7-dimethyl-1H-inden-1-ide;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane.

What is the SMILES notation for 4,7-dimethyl-1H-inden-1-ide;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane?

The canonical SMILES for 4,7-dimethyl-1H-inden-1-ide;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane is Cc1ccc(C)c2[cH-]ccc12.Cc1ccccc1Pc1cc2ccccc2[cH-]1.[Hf].

What is the InChIKey of 4,7-dimethyl-1H-inden-1-ide;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane?

The InChIKey is ORDRODLBXCWFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14P.C11H11.Hf/c1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;1-8-6-7-9(2)11-5-3-4-10(8)11;/h2-11,17H,1H3;3-7H,1-2H3;/q2*-1;.

What are the key properties of 4,7-dimethyl-1H-inden-1-ide;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane?

4,7-dimethyl-1H-inden-1-ide;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane has a molecular weight of 558.96 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-dimethyl-1H-inden-1-ide;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane is sourced from PubChem (CID 87830434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).