2-[5-tert-butyl-2-[[(1S,2R)-2-[[4-tert-butyl-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium

About 2-[5-tert-butyl-2-[[(1S,2R)-2-[[4-tert-butyl-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium

2-[5-tert-butyl-2-[[(1S,2R)-2-[[4-tert-butyl-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium (PubChem CID 153303740) has the molecular formula C98H132HfN2O4-2 and a molecular weight of 1580.63 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-[[(1S,2R)-2-[[4-tert-butyl-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium.

Molecular Properties

Compound Name	2-[5-tert-butyl-2-[[(1S,2R)-2-[[4-tert-butyl-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium
PubChem CID	153303740
Molecular Formula	C98H132HfN2O4-2
Molecular Weight	1580.63 g/mol
Exact Mass	1580.97
IUPAC Name	2-[5-tert-butyl-2-[[(1S,2R)-2-[[4-tert-butyl-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(2,7-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)ccc2OC[C@H]2CCCC[C@H]2COc2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)c(O)c(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1.[CH3-].[CH3-].[Hf]
InChI	InChI=1S/C96H126N2O4.2CH3.Hf/c1-87(2,3)57-95(25,26)67-47-75(85(99)81(53-67)97-77-49-63(91(13,14)15)33-39-69(77)70-40-34-64(50-78(70)97)92(16,17)18)73-45-61(89(7,8)9)37-43-83(73)101-55-59-31-29-30-32-60(59)56-102-84-44-38-62(90(10,11)12)46-74(84)76-48-68(96(27,28)58-88(4,5)6)54-82(86(76)100)98-79-51-65(93(19,20)21)35-41-71(79)72-42-36-66(52-80(72)98)94(22,23)24;;;/h33-54,59-60,99-100H,29-32,55-58H2,1-28H3;21H3;/q;2-1;/t59-,60+;;;
InChIKey	ULTPCZIBRVHERN-GXOHQIRISA-N
XLogP	28.00
TPSA	68.78 Å²
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'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-[[(1S,2R)-2-[[4-tert-butyl-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium?

The IUPAC name of 2-[5-tert-butyl-2-[[(1S,2R)-2-[[4-tert-butyl-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium (CID 153303740) is 2-[5-tert-butyl-2-[[(1S,2R)-2-[[4-tert-butyl-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(2,7-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-[[(1S,2R)-2-[[4-tert-butyl-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium?

The canonical SMILES for 2-[5-tert-butyl-2-[[(1S,2R)-2-[[4-tert-butyl-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(2,7-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)ccc2OC[C@H]2CCCC[C@H]2COc2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)c(O)c(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1.[CH3-].[CH3-].[Hf].

What is the InChIKey of 2-[5-tert-butyl-2-[[(1S,2R)-2-[[4-tert-butyl-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium?

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

What are the key properties of 2-[5-tert-butyl-2-[[(1S,2R)-2-[[4-tert-butyl-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium?

Where does this data come from?

All data for 2-[5-tert-butyl-2-[[(1S,2R)-2-[[4-tert-butyl-2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;carbanide;hafnium is sourced from PubChem (CID 153303740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).