2-[5-tert-butyl-2-[[(2S)-2-[[4-tert-butyl-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium

C98H132HfN2O4-2 — CID 153475217

About 2-[5-tert-butyl-2-[[(2S)-2-[[4-tert-butyl-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium

2-[5-tert-butyl-2-[[(2S)-2-[[4-tert-butyl-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium (PubChem CID 153475217) has the molecular formula C98H132HfN2O4-2 and a molecular weight of 1580.63 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-[[(2S)-2-[[4-tert-butyl-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium.

Molecular Properties

• Compound Name: 2-[5-tert-butyl-2-[[(2S)-2-[[4-tert-butyl-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium
• PubChem CID: 153475217
• Molecular Formula: C98H132HfN2O4-2
• Molecular Weight: 1580.63 g/mol
• Exact Mass: 1580.97
• IUPAC Name: 2-[5-tert-butyl-2-[[(2S)-2-[[4-tert-butyl-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium
• SMILES: CC(C)(C)CC(C)(C)c1cc(-c2cc(C(C)(C)C)ccc2OCC2CCCC[C@@H]2COc2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c(O)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1.[CH3-].[CH3-].[Hf]
• InChI: InChI=1S/C96H126N2O4.2CH3.Hf/c1-87(2,3)57-95(25,26)67-51-75(85(99)81(53-67)97-77-39-33-61(89(7,8)9)45-69(77)70-46-62(90(10,11)12)34-40-78(70)97)73-49-65(93(19,20)21)37-43-83(73)101-55-59-31-29-30-32-60(59)56-102-84-44-38-66(94(22,23)24)50-74(84)76-52-68(96(27,28)58-88(4,5)6)54-82(86(76)100)98-79-41-35-63(91(13,14)15)47-71(79)72-48-64(92(16,17)18)36-42-80(72)98;;;/h33-54,59-60,99-100H,29-32,55-58H2,1-28H3;2*1H3;/q;2*-1;/t59-,60?;;;/m1.../s1
• InChIKey: UZKBRMNUBUJPDW-MJRHMXRLSA-N
• XLogP: 28.00
• TPSA: 68.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1580.63
LogP ≤ 5	28.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-[[(2S)-2-[[4-tert-butyl-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium?

The IUPAC name of 2-[5-tert-butyl-2-[[(2S)-2-[[4-tert-butyl-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium (CID 153475217) is 2-[5-tert-butyl-2-[[(2S)-2-[[4-tert-butyl-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium.

What is the SMILES notation for 2-[5-tert-butyl-2-[[(2S)-2-[[4-tert-butyl-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium?

The canonical SMILES for 2-[5-tert-butyl-2-[[(2S)-2-[[4-tert-butyl-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium is CC(C)(C)CC(C)(C)c1cc(-c2cc(C(C)(C)C)ccc2OCC2CCCC[C@@H]2COc2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)c(O)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1.[CH3-].[CH3-].[Hf].

What is the InChIKey of 2-[5-tert-butyl-2-[[(2S)-2-[[4-tert-butyl-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium?

The InChIKey is UZKBRMNUBUJPDW-MJRHMXRLSA-N. The full InChI is InChI=1S/C96H126N2O4.2CH3.Hf/c1-87(2,3)57-95(25,26)67-51-75(85(99)81(53-67)97-77-39-33-61(89(7,8)9)45-69(77)70-46-62(90(10,11)12)34-40-78(70)97)73-49-65(93(19,20)21)37-43-83(73)101-55-59-31-29-30-32-60(59)56-102-84-44-38-66(94(22,23)24)50-74(84)76-52-68(96(27,28)58-88(4,5)6)54-82(86(76)100)98-79-41-35-63(91(13,14)15)47-71(79)72-48-64(92(16,17)18)36-42-80(72)98;;;/h33-54,59-60,99-100H,29-32,55-58H2,1-28H3;2*1H3;/q;2*-1;/t59-,60?;;;/m1.../s1.

What are the key properties of 2-[5-tert-butyl-2-[[(2S)-2-[[4-tert-butyl-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium?

2-[5-tert-butyl-2-[[(2S)-2-[[4-tert-butyl-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium has a molecular weight of 1580.63 g/mol, XLogP of 28.00, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-tert-butyl-2-[[(2S)-2-[[4-tert-butyl-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium is sourced from PubChem (CID 153475217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).