2-[[2-[[4,6-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenoxy]-1,3,5-triazin-2-yl]oxy]-3-tert-butyl-5-methylphenyl]methyl]-6-tert-butyl-4-methylphenol

C72H93N3O6 — CID 20556676

IUPAC2-[[2-[[4,6-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenoxy]-1,3,5-triazin-2-yl]oxy]-3-tert-butyl-5-methylphenyl]methyl]-6-tert-butyl-4-methylphenol
SMILESCc1cc(Cc2cc(C)cc(C(C)(C)C)c2Oc2nc(Oc3c(Cc4cc(C)cc(C(C)(C)C)c4O)cc(C)cc3C(C)(C)C)nc(Oc3c(Cc4cc(C)cc(C(C)(C)C)c4O)cc(C)cc3C(C)(C)C)n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C72H93N3O6/c1-40-25-46(58(76)52(31-40)67(7,8)9)37-49-28-43(4)34-55(70(16,17)18)61(49)79-64-73-65(80-62-50(29-44(5)35-56(62)71(19,20)21)38-47-26-41(2)32-53(59(47)77)68(10,11)12)75-66(74-64)81-63-51(30-45(6)36-57(63)72(22,23)24)39-48-27-42(3)33-54(60(48)78)69(13,14)15/h25-36,76-78H,37-39H2,1-24H3
InChIKeyOOCWAVBPKVUDLO-UHFFFAOYSA-N
MW1096.55 g/mol
LogP18.77
Rot. Bonds12

About 2-[[2-[[4,6-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenoxy]-1,3,5-triazin-2-yl]oxy]-3-tert-butyl-5-methylphenyl]methyl]-6-tert-butyl-4-methylphenol

2-[[2-[[4,6-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenoxy]-1,3,5-triazin-2-yl]oxy]-3-tert-butyl-5-methylphenyl]methyl]-6-tert-butyl-4-methylphenol (PubChem CID 20556676) has the molecular formula C72H93N3O6 and a molecular weight of 1096.55 g/mol. Its IUPAC name is 2-[[2-[[4,6-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenoxy]-1,3,5-triazin-2-yl]oxy]-3-tert-butyl-5-methylphenyl]methyl]-6-tert-butyl-4-methylphenol.

Molecular Properties

Compound Name2-[[2-[[4,6-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenoxy]-1,3,5-triazin-2-yl]oxy]-3-tert-butyl-5-methylphenyl]methyl]-6-tert-butyl-4-methylphenol
PubChem CID20556676
Molecular FormulaC72H93N3O6
Molecular Weight1096.55 g/mol
Exact Mass1095.71
IUPAC Name2-[[2-[[4,6-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenoxy]-1,3,5-triazin-2-yl]oxy]-3-tert-butyl-5-methylphenyl]methyl]-6-tert-butyl-4-methylphenol
SMILESCc1cc(Cc2cc(C)cc(C(C)(C)C)c2Oc2nc(Oc3c(Cc4cc(C)cc(C(C)(C)C)c4O)cc(C)cc3C(C)(C)C)nc(Oc3c(Cc4cc(C)cc(C(C)(C)C)c4O)cc(C)cc3C(C)(C)C)n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C72H93N3O6/c1-40-25-46(58(76)52(31-40)67(7,8)9)37-49-28-43(4)34-55(70(16,17)18)61(49)79-64-73-65(80-62-50(29-44(5)35-56(62)71(19,20)21)38-47-26-41(2)32-53(59(47)77)68(10,11)12)75-66(74-64)81-63-51(30-45(6)36-57(63)72(22,23)24)39-48-27-42(3)33-54(60(48)78)69(13,14)15/h25-36,76-78H,37-39H2,1-24H3
InChIKeyOOCWAVBPKVUDLO-UHFFFAOYSA-N
XLogP18.77
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001096.55
LogP ≤ 518.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[[2-[[4,6-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenoxy]-1,3,5-triazin-2-yl]oxy]-3-tert-butyl-5-methylphenyl]methyl]-6-tert-butyl-4-methylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[4,6-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenoxy]-1,3,5-triazin-2-yl]oxy]-3-tert-butyl-5-methylphenyl]methyl]-6-tert-butyl-4-methylphenol?
The IUPAC name of 2-[[2-[[4,6-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenoxy]-1,3,5-triazin-2-yl]oxy]-3-tert-butyl-5-methylphenyl]methyl]-6-tert-butyl-4-methylphenol (CID 20556676) is 2-[[2-[[4,6-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenoxy]-1,3,5-triazin-2-yl]oxy]-3-tert-butyl-5-methylphenyl]methyl]-6-tert-butyl-4-methylphenol.
What is the SMILES notation for 2-[[2-[[4,6-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenoxy]-1,3,5-triazin-2-yl]oxy]-3-tert-butyl-5-methylphenyl]methyl]-6-tert-butyl-4-methylphenol?
The canonical SMILES for 2-[[2-[[4,6-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenoxy]-1,3,5-triazin-2-yl]oxy]-3-tert-butyl-5-methylphenyl]methyl]-6-tert-butyl-4-methylphenol is Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2Oc2nc(Oc3c(Cc4cc(C)cc(C(C)(C)C)c4O)cc(C)cc3C(C)(C)C)nc(Oc3c(Cc4cc(C)cc(C(C)(C)C)c4O)cc(C)cc3C(C)(C)C)n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-[[2-[[4,6-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenoxy]-1,3,5-triazin-2-yl]oxy]-3-tert-butyl-5-methylphenyl]methyl]-6-tert-butyl-4-methylphenol?
The InChIKey is OOCWAVBPKVUDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H93N3O6/c1-40-25-46(58(76)52(31-40)67(7,8)9)37-49-28-43(4)34-55(70(16,17)18)61(49)79-64-73-65(80-62-50(29-44(5)35-56(62)71(19,20)21)38-47-26-41(2)32-53(59(47)77)68(10,11)12)75-66(74-64)81-63-51(30-45(6)36-57(63)72(22,23)24)39-48-27-42(3)33-54(60(48)78)69(13,14)15/h25-36,76-78H,37-39H2,1-24H3.
What are the key properties of 2-[[2-[[4,6-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenoxy]-1,3,5-triazin-2-yl]oxy]-3-tert-butyl-5-methylphenyl]methyl]-6-tert-butyl-4-methylphenol?
2-[[2-[[4,6-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenoxy]-1,3,5-triazin-2-yl]oxy]-3-tert-butyl-5-methylphenyl]methyl]-6-tert-butyl-4-methylphenol has a molecular weight of 1096.55 g/mol, XLogP of 18.77, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[4,6-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenoxy]-1,3,5-triazin-2-yl]oxy]-3-tert-butyl-5-methylphenyl]methyl]-6-tert-butyl-4-methylphenol is sourced from PubChem (CID 20556676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).