2-[1-[2-[[4,6-bis[2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenoxy]-1,3,5-triazin-2-yl]oxy]-3,5-dimethylphenyl]-3,5,5-trimethylhexyl]-4,6-dimethylphenol

C78H105N3O6 — CID 119057877

IUPAC2-[1-[2-[[4,6-bis[2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenoxy]-1,3,5-triazin-2-yl]oxy]-3,5-dimethylphenyl]-3,5,5-trimethylhexyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C(CC(C)CC(C)(C)C)c2cc(C)cc(C)c2Oc2nc(Oc3c(C)cc(C)cc3C(CC(C)CC(C)(C)C)c3cc(C)cc(C)c3O)nc(Oc3c(C)cc(C)cc3C(CC(C)CC(C)(C)C)c3cc(C)cc(C)c3O)n2)c1
InChIInChI=1S/C78H105N3O6/c1-43-25-52(10)67(82)61(31-43)58(37-49(7)40-76(16,17)18)64-34-46(4)28-55(13)70(64)85-73-79-74(86-71-56(14)29-47(5)35-65(71)59(38-50(8)41-77(19,20)21)62-32-44(2)26-53(11)68(62)83)81-75(80-73)87-72-57(15)30-48(6)36-66(72)60(39-51(9)42-78(22,23)24)63-33-45(3)27-54(12)69(63)84/h25-36,49-51,58-60,82-84H,37-42H2,1-24H3
InChIKeyWFNNFZQJSNOPLF-UHFFFAOYSA-N
MW1180.71 g/mol
LogP21.85
Rot. Bonds21

About 2-[1-[2-[[4,6-bis[2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenoxy]-1,3,5-triazin-2-yl]oxy]-3,5-dimethylphenyl]-3,5,5-trimethylhexyl]-4,6-dimethylphenol

2-[1-[2-[[4,6-bis[2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenoxy]-1,3,5-triazin-2-yl]oxy]-3,5-dimethylphenyl]-3,5,5-trimethylhexyl]-4,6-dimethylphenol (PubChem CID 119057877) has the molecular formula C78H105N3O6 and a molecular weight of 1180.71 g/mol. Its IUPAC name is 2-[1-[2-[[4,6-bis[2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenoxy]-1,3,5-triazin-2-yl]oxy]-3,5-dimethylphenyl]-3,5,5-trimethylhexyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[1-[2-[[4,6-bis[2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenoxy]-1,3,5-triazin-2-yl]oxy]-3,5-dimethylphenyl]-3,5,5-trimethylhexyl]-4,6-dimethylphenol
PubChem CID119057877
Molecular FormulaC78H105N3O6
Molecular Weight1180.71 g/mol
Exact Mass1179.80
IUPAC Name2-[1-[2-[[4,6-bis[2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenoxy]-1,3,5-triazin-2-yl]oxy]-3,5-dimethylphenyl]-3,5,5-trimethylhexyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(C(CC(C)CC(C)(C)C)c2cc(C)cc(C)c2Oc2nc(Oc3c(C)cc(C)cc3C(CC(C)CC(C)(C)C)c3cc(C)cc(C)c3O)nc(Oc3c(C)cc(C)cc3C(CC(C)CC(C)(C)C)c3cc(C)cc(C)c3O)n2)c1
InChIInChI=1S/C78H105N3O6/c1-43-25-52(10)67(82)61(31-43)58(37-49(7)40-76(16,17)18)64-34-46(4)28-55(13)70(64)85-73-79-74(86-71-56(14)29-47(5)35-65(71)59(38-50(8)41-77(19,20)21)62-32-44(2)26-53(11)68(62)83)81-75(80-73)87-72-57(15)30-48(6)36-66(72)60(39-51(9)42-78(22,23)24)63-33-45(3)27-54(12)69(63)84/h25-36,49-51,58-60,82-84H,37-42H2,1-24H3
InChIKeyWFNNFZQJSNOPLF-UHFFFAOYSA-N
XLogP21.85
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001180.71
LogP ≤ 521.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[1-[2-[[4,6-bis[2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenoxy]-1,3,5-triazin-2-yl]oxy]-3,5-dimethylphenyl]-3,5,5-trimethylhexyl]-4,6-dimethylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[[4,6-bis[2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenoxy]-1,3,5-triazin-2-yl]oxy]-3,5-dimethylphenyl]-3,5,5-trimethylhexyl]-4,6-dimethylphenol?
The IUPAC name of 2-[1-[2-[[4,6-bis[2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenoxy]-1,3,5-triazin-2-yl]oxy]-3,5-dimethylphenyl]-3,5,5-trimethylhexyl]-4,6-dimethylphenol (CID 119057877) is 2-[1-[2-[[4,6-bis[2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenoxy]-1,3,5-triazin-2-yl]oxy]-3,5-dimethylphenyl]-3,5,5-trimethylhexyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[1-[2-[[4,6-bis[2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenoxy]-1,3,5-triazin-2-yl]oxy]-3,5-dimethylphenyl]-3,5,5-trimethylhexyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[1-[2-[[4,6-bis[2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenoxy]-1,3,5-triazin-2-yl]oxy]-3,5-dimethylphenyl]-3,5,5-trimethylhexyl]-4,6-dimethylphenol is Cc1cc(C)c(O)c(C(CC(C)CC(C)(C)C)c2cc(C)cc(C)c2Oc2nc(Oc3c(C)cc(C)cc3C(CC(C)CC(C)(C)C)c3cc(C)cc(C)c3O)nc(Oc3c(C)cc(C)cc3C(CC(C)CC(C)(C)C)c3cc(C)cc(C)c3O)n2)c1.
What is the InChIKey of 2-[1-[2-[[4,6-bis[2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenoxy]-1,3,5-triazin-2-yl]oxy]-3,5-dimethylphenyl]-3,5,5-trimethylhexyl]-4,6-dimethylphenol?
The InChIKey is WFNNFZQJSNOPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H105N3O6/c1-43-25-52(10)67(82)61(31-43)58(37-49(7)40-76(16,17)18)64-34-46(4)28-55(13)70(64)85-73-79-74(86-71-56(14)29-47(5)35-65(71)59(38-50(8)41-77(19,20)21)62-32-44(2)26-53(11)68(62)83)81-75(80-73)87-72-57(15)30-48(6)36-66(72)60(39-51(9)42-78(22,23)24)63-33-45(3)27-54(12)69(63)84/h25-36,49-51,58-60,82-84H,37-42H2,1-24H3.
What are the key properties of 2-[1-[2-[[4,6-bis[2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenoxy]-1,3,5-triazin-2-yl]oxy]-3,5-dimethylphenyl]-3,5,5-trimethylhexyl]-4,6-dimethylphenol?
2-[1-[2-[[4,6-bis[2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenoxy]-1,3,5-triazin-2-yl]oxy]-3,5-dimethylphenyl]-3,5,5-trimethylhexyl]-4,6-dimethylphenol has a molecular weight of 1180.71 g/mol, XLogP of 21.85, 21 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[[4,6-bis[2-[1-(2-hydroxy-3,5-dimethylphenyl)-3,5,5-trimethylhexyl]-4,6-dimethylphenoxy]-1,3,5-triazin-2-yl]oxy]-3,5-dimethylphenyl]-3,5,5-trimethylhexyl]-4,6-dimethylphenol is sourced from PubChem (CID 119057877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).