2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-propylindol-3-yl]-2-pyridinyl]-1-propylindol-2-yl]-4-methylphenol;carbanide;hafnium

C51H61HfN3O2-2 — CID 154622745

About 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-propylindol-3-yl]-2-pyridinyl]-1-propylindol-2-yl]-4-methylphenol;carbanide;hafnium

2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-propylindol-3-yl]-2-pyridinyl]-1-propylindol-2-yl]-4-methylphenol;carbanide;hafnium (PubChem CID 154622745) has the molecular formula C51H61HfN3O2-2 and a molecular weight of 926.56 g/mol. Its IUPAC name is 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-propylindol-3-yl]-2-pyridinyl]-1-propylindol-2-yl]-4-methylphenol;carbanide;hafnium.

Molecular Properties

• Compound Name: 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-propylindol-3-yl]-2-pyridinyl]-1-propylindol-2-yl]-4-methylphenol;carbanide;hafnium
• PubChem CID: 154622745
• Molecular Formula: C51H61HfN3O2-2
• Molecular Weight: 926.56 g/mol
• Exact Mass: 927.42
• IUPAC Name: 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-propylindol-3-yl]-2-pyridinyl]-1-propylindol-2-yl]-4-methylphenol;carbanide;hafnium
• SMILES: CCCn1c(-c2cc(C)cc(C(C)(C)C)c2O)c(-c2cccc(-c3c(-c4cc(C)cc(C(C)(C)C)c4O)n(CCC)c4ccccc34)n2)c2ccccc21.[CH3-].[CH3-].[Hf]
• InChI: InChI=1S/C49H55N3O2.2CH3.Hf/c1-11-24-51-40-22-15-13-18-32(40)42(44(51)34-26-30(3)28-36(46(34)53)48(5,6)7)38-20-17-21-39(50-38)43-33-19-14-16-23-41(33)52(25-12-2)45(43)35-27-31(4)29-37(47(35)54)49(8,9)10;;;/h13-23,26-29,53-54H,11-12,24-25H2,1-10H3;2*1H3;/q;2*-1
• InChIKey: HPMPIASKGVKDNH-UHFFFAOYSA-N
• XLogP: 14.00
• TPSA: 63.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.56
LogP ≤ 5	14.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-propylindol-3-yl]-2-pyridinyl]-1-propylindol-2-yl]-4-methylphenol;carbanide;hafnium?

The IUPAC name of 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-propylindol-3-yl]-2-pyridinyl]-1-propylindol-2-yl]-4-methylphenol;carbanide;hafnium (CID 154622745) is 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-propylindol-3-yl]-2-pyridinyl]-1-propylindol-2-yl]-4-methylphenol;carbanide;hafnium.

What is the SMILES notation for 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-propylindol-3-yl]-2-pyridinyl]-1-propylindol-2-yl]-4-methylphenol;carbanide;hafnium?

The canonical SMILES for 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-propylindol-3-yl]-2-pyridinyl]-1-propylindol-2-yl]-4-methylphenol;carbanide;hafnium is CCCn1c(-c2cc(C)cc(C(C)(C)C)c2O)c(-c2cccc(-c3c(-c4cc(C)cc(C(C)(C)C)c4O)n(CCC)c4ccccc34)n2)c2ccccc21.[CH3-].[CH3-].[Hf].

What is the InChIKey of 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-propylindol-3-yl]-2-pyridinyl]-1-propylindol-2-yl]-4-methylphenol;carbanide;hafnium?

The InChIKey is HPMPIASKGVKDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H55N3O2.2CH3.Hf/c1-11-24-51-40-22-15-13-18-32(40)42(44(51)34-26-30(3)28-36(46(34)53)48(5,6)7)38-20-17-21-39(50-38)43-33-19-14-16-23-41(33)52(25-12-2)45(43)35-27-31(4)29-37(47(35)54)49(8,9)10;;;/h13-23,26-29,53-54H,11-12,24-25H2,1-10H3;2*1H3;/q;2*-1;.

What are the key properties of 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-propylindol-3-yl]-2-pyridinyl]-1-propylindol-2-yl]-4-methylphenol;carbanide;hafnium?

2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-propylindol-3-yl]-2-pyridinyl]-1-propylindol-2-yl]-4-methylphenol;carbanide;hafnium has a molecular weight of 926.56 g/mol, XLogP of 14.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-propylindol-3-yl]-2-pyridinyl]-1-propylindol-2-yl]-4-methylphenol;carbanide;hafnium is sourced from PubChem (CID 154622745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).