2,6-ditert-butyl-4-[[[4-[(3-tert-butyl-4-hydroxyphenyl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol

C61H90N6O4 — CID 123378827

IUPAC2,6-ditert-butyl-4-[[[4-[(3-tert-butyl-4-hydroxyphenyl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol
SMILESCN(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1nc(N(C)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc(N(Cc2ccc(O)c(C(C)(C)C)c2)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1
InChIInChI=1S/C61H90N6O4/c1-55(2,3)41-26-37(24-25-48(41)68)35-67(36-40-31-46(60(16,17)18)51(71)47(32-40)61(19,20)21)54-63-52(65(22)33-38-27-42(56(4,5)6)49(69)43(28-38)57(7,8)9)62-53(64-54)66(23)34-39-29-44(58(10,11)12)50(70)45(30-39)59(13,14)15/h24-32,68-71H,33-36H2,1-23H3
InChIKeyWQFQVXLPLZHGHL-UHFFFAOYSA-N
MW971.43 g/mol
LogP14.26
Rot. Bonds11

About 2,6-ditert-butyl-4-[[[4-[(3-tert-butyl-4-hydroxyphenyl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol

2,6-ditert-butyl-4-[[[4-[(3-tert-butyl-4-hydroxyphenyl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol (PubChem CID 123378827) has the molecular formula C61H90N6O4 and a molecular weight of 971.43 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[[[4-[(3-tert-butyl-4-hydroxyphenyl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[[[4-[(3-tert-butyl-4-hydroxyphenyl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol
PubChem CID123378827
Molecular FormulaC61H90N6O4
Molecular Weight971.43 g/mol
Exact Mass970.70
IUPAC Name2,6-ditert-butyl-4-[[[4-[(3-tert-butyl-4-hydroxyphenyl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol
SMILESCN(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1nc(N(C)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc(N(Cc2ccc(O)c(C(C)(C)C)c2)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1
InChIInChI=1S/C61H90N6O4/c1-55(2,3)41-26-37(24-25-48(41)68)35-67(36-40-31-46(60(16,17)18)51(71)47(32-40)61(19,20)21)54-63-52(65(22)33-38-27-42(56(4,5)6)49(69)43(28-38)57(7,8)9)62-53(64-54)66(23)34-39-29-44(58(10,11)12)50(70)45(30-39)59(13,14)15/h24-32,68-71H,33-36H2,1-23H3
InChIKeyWQFQVXLPLZHGHL-UHFFFAOYSA-N
XLogP14.26
TPSA129.31 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.43
LogP ≤ 514.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2,6-ditert-butyl-4-[[[4-[(3-tert-butyl-4-hydroxyphenyl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[[[4-[(3-tert-butyl-4-hydroxyphenyl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[[[4-[(3-tert-butyl-4-hydroxyphenyl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol (CID 123378827) is 2,6-ditert-butyl-4-[[[4-[(3-tert-butyl-4-hydroxyphenyl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[[[4-[(3-tert-butyl-4-hydroxyphenyl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[[[4-[(3-tert-butyl-4-hydroxyphenyl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol is CN(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1nc(N(C)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc(N(Cc2ccc(O)c(C(C)(C)C)c2)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-[(3-tert-butyl-4-hydroxyphenyl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol?
The InChIKey is WQFQVXLPLZHGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H90N6O4/c1-55(2,3)41-26-37(24-25-48(41)68)35-67(36-40-31-46(60(16,17)18)51(71)47(32-40)61(19,20)21)54-63-52(65(22)33-38-27-42(56(4,5)6)49(69)43(28-38)57(7,8)9)62-53(64-54)66(23)34-39-29-44(58(10,11)12)50(70)45(30-39)59(13,14)15/h24-32,68-71H,33-36H2,1-23H3.
What are the key properties of 2,6-ditert-butyl-4-[[[4-[(3-tert-butyl-4-hydroxyphenyl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol?
2,6-ditert-butyl-4-[[[4-[(3-tert-butyl-4-hydroxyphenyl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol has a molecular weight of 971.43 g/mol, XLogP of 14.26, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[[[4-[(3-tert-butyl-4-hydroxyphenyl)methyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol is sourced from PubChem (CID 123378827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).