2-[5-tert-butyl-2-[[(2S)-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

C96H126N2O4 — CID 153475221

About 2-[5-tert-butyl-2-[[(2S)-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

2-[5-tert-butyl-2-[[(2S)-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 (PubChem CID 153475221) has the molecular formula C96H126N2O4 and a molecular weight of 1372.07 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-[[(2S)-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.

Molecular Properties

• Compound Name: 2-[5-tert-butyl-2-[[(2S)-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
• PubChem CID: 153475221
• Molecular Formula: C96H126N2O4
• Molecular Weight: 1372.07 g/mol
• Exact Mass: 1370.97
• IUPAC Name: 2-[5-tert-butyl-2-[[(2S)-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
• 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(-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
• InChI: InChI=1S/C96H126N2O4/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/t59-,60?/m1/s1
• InChIKey: AFGRYGQUOVIDHJ-PXUOOGJKSA-N
• XLogP: 27.10
• TPSA: 68.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1372.07
LogP ≤ 5	27.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-[[(2S)-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?

The IUPAC name of 2-[5-tert-butyl-2-[[(2S)-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 (CID 153475221) is 2-[5-tert-butyl-2-[[(2S)-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.

What is the SMILES notation for 2-[5-tert-butyl-2-[[(2S)-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?

The canonical SMILES for 2-[5-tert-butyl-2-[[(2S)-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 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(-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.

What is the InChIKey of 2-[5-tert-butyl-2-[[(2S)-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?

The InChIKey is AFGRYGQUOVIDHJ-PXUOOGJKSA-N. The full InChI is InChI=1S/C96H126N2O4/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/t59-,60?/m1/s1.

What are the key properties of 2-[5-tert-butyl-2-[[(2S)-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?

2-[5-tert-butyl-2-[[(2S)-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 has a molecular weight of 1372.07 g/mol, XLogP of 27.10, 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-(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 is sourced from PubChem (CID 153475221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).