hafnium;1-methyl-2-phenyl-1,3-dihydroinden-3-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene

C26H28Hf-2 — CID 154426986

About hafnium;1-methyl-2-phenyl-1,3-dihydroinden-3-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene

hafnium;1-methyl-2-phenyl-1,3-dihydroinden-3-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene (PubChem CID 154426986) has the molecular formula C26H28Hf-2 and a molecular weight of 519.00 g/mol. Its IUPAC name is hafnium;1-methyl-2-phenyl-1,3-dihydroinden-3-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

• Compound Name: hafnium;1-methyl-2-phenyl-1,3-dihydroinden-3-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
• PubChem CID: 154426986
• Molecular Formula: C26H28Hf-2
• Molecular Weight: 519.00 g/mol
• Exact Mass: 520.17
• IUPAC Name: hafnium;1-methyl-2-phenyl-1,3-dihydroinden-3-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
• SMILES: CC1C(c2ccccc2)=[C-]c2ccccc21.Cc1c(C)c(C)[c-](C)c1C.[Hf]
• InChI: InChI=1S/C16H13.C10H15.Hf/c1-12-15-10-6-5-9-14(15)11-16(12)13-7-3-2-4-8-13;1-6-7(2)9(4)10(5)8(6)3;/h2-10,12H,1H3;1-5H3;/q2*-1
• InChIKey: SJRZAQVASIZCHM-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.00
LogP ≤ 5	6.98
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': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of hafnium;1-methyl-2-phenyl-1,3-dihydroinden-3-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?

The IUPAC name of hafnium;1-methyl-2-phenyl-1,3-dihydroinden-3-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene (CID 154426986) is hafnium;1-methyl-2-phenyl-1,3-dihydroinden-3-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene.

What is the SMILES notation for hafnium;1-methyl-2-phenyl-1,3-dihydroinden-3-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?

The canonical SMILES for hafnium;1-methyl-2-phenyl-1,3-dihydroinden-3-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene is CC1C(c2ccccc2)=[C-]c2ccccc21.Cc1c(C)c(C)[c-](C)c1C.[Hf].

What is the InChIKey of hafnium;1-methyl-2-phenyl-1,3-dihydroinden-3-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?

The InChIKey is SJRZAQVASIZCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13.C10H15.Hf/c1-12-15-10-6-5-9-14(15)11-16(12)13-7-3-2-4-8-13;1-6-7(2)9(4)10(5)8(6)3;/h2-10,12H,1H3;1-5H3;/q2*-1;.

What are the key properties of hafnium;1-methyl-2-phenyl-1,3-dihydroinden-3-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene?

hafnium;1-methyl-2-phenyl-1,3-dihydroinden-3-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 519.00 g/mol, XLogP of 6.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for hafnium;1-methyl-2-phenyl-1,3-dihydroinden-3-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 154426986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).