2,6-ditert-butyl-4-[[[4-[[(3Z,5Z)-4-tert-butyl-5-hydroxy-6,7,7-trimethyl-2-methylideneocta-3,5-dienyl]-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxy-6-methylcyclohexa-1,3-dien-1-yl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenol

C80H124N6O5 — CID 146530335

About 2,6-ditert-butyl-4-[[[4-[[(3Z,5Z)-4-tert-butyl-5-hydroxy-6,7,7-trimethyl-2-methylideneocta-3,5-dienyl]-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxy-6-methylcyclohexa-1,3-dien-1-yl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenol

2,6-ditert-butyl-4-[[[4-[[(3Z,5Z)-4-tert-butyl-5-hydroxy-6,7,7-trimethyl-2-methylideneocta-3,5-dienyl]-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxy-6-methylcyclohexa-1,3-dien-1-yl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenol (PubChem CID 146530335) has the molecular formula C80H124N6O5 and a molecular weight of 1249.91 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[[[4-[[(3Z,5Z)-4-tert-butyl-5-hydroxy-6,7,7-trimethyl-2-methylideneocta-3,5-dienyl]-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxy-6-methylcyclohexa-1,3-dien-1-yl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenol.

Molecular Properties

• Compound Name: 2,6-ditert-butyl-4-[[[4-[[(3Z,5Z)-4-tert-butyl-5-hydroxy-6,7,7-trimethyl-2-methylideneocta-3,5-dienyl]-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxy-6-methylcyclohexa-1,3-dien-1-yl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenol
• PubChem CID: 146530335
• Molecular Formula: C80H124N6O5
• Molecular Weight: 1249.91 g/mol
• Exact Mass: 1248.96
• IUPAC Name: 2,6-ditert-butyl-4-[[[4-[[(3Z,5Z)-4-tert-butyl-5-hydroxy-6,7,7-trimethyl-2-methylideneocta-3,5-dienyl]-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxy-6-methylcyclohexa-1,3-dien-1-yl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenol
• SMILES: C=C(/C=C(C(\O)=C(/C)C(C)(C)C)/C(C)(C)C)CN(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1nc(NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc(N(CC2=CC(C(C)(C)C)=C(O)C(C(C)(C)C)C2C)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1
• InChI: InChI=1S/C80H124N6O5/c1-47(34-54(72(7,8)9)63(87)49(3)71(4,5)6)43-85(44-51-37-57(75(16,17)18)65(89)58(38-51)76(19,20)21)69-82-68(81-42-50-35-55(73(10,11)12)64(88)56(36-50)74(13,14)15)83-70(84-69)86(45-52-39-59(77(22,23)24)66(90)60(40-52)78(25,26)27)46-53-41-61(79(28,29)30)67(91)62(48(53)2)80(31,32)33/h34-41,48,62,87-91H,1,42-46H2,2-33H3,(H,81,82,83,84)/b54-34+,63-49-
• InChIKey: PPNWNVBUCFZVSB-RSZAUJRESA-N
• XLogP: 20.90
• TPSA: 158.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1249.91
LogP ≤ 5	20.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[[[4-[[(3Z,5Z)-4-tert-butyl-5-hydroxy-6,7,7-trimethyl-2-methylideneocta-3,5-dienyl]-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxy-6-methylcyclohexa-1,3-dien-1-yl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenol?

The IUPAC name of 2,6-ditert-butyl-4-[[[4-[[(3Z,5Z)-4-tert-butyl-5-hydroxy-6,7,7-trimethyl-2-methylideneocta-3,5-dienyl]-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxy-6-methylcyclohexa-1,3-dien-1-yl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenol (CID 146530335) is 2,6-ditert-butyl-4-[[[4-[[(3Z,5Z)-4-tert-butyl-5-hydroxy-6,7,7-trimethyl-2-methylideneocta-3,5-dienyl]-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxy-6-methylcyclohexa-1,3-dien-1-yl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenol.

What is the SMILES notation for 2,6-ditert-butyl-4-[[[4-[[(3Z,5Z)-4-tert-butyl-5-hydroxy-6,7,7-trimethyl-2-methylideneocta-3,5-dienyl]-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxy-6-methylcyclohexa-1,3-dien-1-yl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenol?

The canonical SMILES for 2,6-ditert-butyl-4-[[[4-[[(3Z,5Z)-4-tert-butyl-5-hydroxy-6,7,7-trimethyl-2-methylideneocta-3,5-dienyl]-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxy-6-methylcyclohexa-1,3-dien-1-yl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenol is C=C(/C=C(C(\O)=C(/C)C(C)(C)C)/C(C)(C)C)CN(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1nc(NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc(N(CC2=CC(C(C)(C)C)=C(O)C(C(C)(C)C)C2C)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1.

What is the InChIKey of 2,6-ditert-butyl-4-[[[4-[[(3Z,5Z)-4-tert-butyl-5-hydroxy-6,7,7-trimethyl-2-methylideneocta-3,5-dienyl]-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxy-6-methylcyclohexa-1,3-dien-1-yl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenol?

The InChIKey is PPNWNVBUCFZVSB-RSZAUJRESA-N. The full InChI is InChI=1S/C80H124N6O5/c1-47(34-54(72(7,8)9)63(87)49(3)71(4,5)6)43-85(44-51-37-57(75(16,17)18)65(89)58(38-51)76(19,20)21)69-82-68(81-42-50-35-55(73(10,11)12)64(88)56(36-50)74(13,14)15)83-70(84-69)86(45-52-39-59(77(22,23)24)66(90)60(40-52)78(25,26)27)46-53-41-61(79(28,29)30)67(91)62(48(53)2)80(31,32)33/h34-41,48,62,87-91H,1,42-46H2,2-33H3,(H,81,82,83,84)/b54-34+,63-49-.

What are the key properties of 2,6-ditert-butyl-4-[[[4-[[(3Z,5Z)-4-tert-butyl-5-hydroxy-6,7,7-trimethyl-2-methylideneocta-3,5-dienyl]-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxy-6-methylcyclohexa-1,3-dien-1-yl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenol?

2,6-ditert-butyl-4-[[[4-[[(3Z,5Z)-4-tert-butyl-5-hydroxy-6,7,7-trimethyl-2-methylideneocta-3,5-dienyl]-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxy-6-methylcyclohexa-1,3-dien-1-yl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenol has a molecular weight of 1249.91 g/mol, XLogP of 20.90, 15 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-ditert-butyl-4-[[[4-[[(3Z,5Z)-4-tert-butyl-5-hydroxy-6,7,7-trimethyl-2-methylideneocta-3,5-dienyl]-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxy-6-methylcyclohexa-1,3-dien-1-yl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-1,3,5-triazin-2-yl]amino]methyl]phenol is sourced from PubChem (CID 146530335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).