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

C64H96N6O4 — CID 146531019

IUPAC4-[[[4-[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]methyl]-2,6-ditert-butyl-3-methylphenol
SMILESCc1c(CNc2nc(NCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc(N(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc(C(C)(C)C)c(O)c1C(C)(C)C
InChIInChI=1S/C64H96N6O4/c1-37-41(32-48(63(20,21)22)53(74)49(37)64(23,24)25)34-66-55-67-54(65-33-38-26-42(57(2,3)4)50(71)43(27-38)58(5,6)7)68-56(69-55)70(35-39-28-44(59(8,9)10)51(72)45(29-39)60(11,12)13)36-40-30-46(61(14,15)16)52(73)47(31-40)62(17,18)19/h26-32,71-74H,33-36H2,1-25H3,(H2,65,66,67,68,69)
InChIKeyZKSCEQJQRHMQNX-UHFFFAOYSA-N
MW1013.51 g/mol
LogP15.81
Rot. Bonds11

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

4-[[[4-[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]methyl]-2,6-ditert-butyl-3-methylphenol (PubChem CID 146531019) has the molecular formula C64H96N6O4 and a molecular weight of 1013.51 g/mol. Its IUPAC name is 4-[[[4-[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]methyl]-2,6-ditert-butyl-3-methylphenol.

Molecular Properties

Compound Name4-[[[4-[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]methyl]-2,6-ditert-butyl-3-methylphenol
PubChem CID146531019
Molecular FormulaC64H96N6O4
Molecular Weight1013.51 g/mol
Exact Mass1012.75
IUPAC Name4-[[[4-[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]methyl]-2,6-ditert-butyl-3-methylphenol
SMILESCc1c(CNc2nc(NCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc(N(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc(C(C)(C)C)c(O)c1C(C)(C)C
InChIInChI=1S/C64H96N6O4/c1-37-41(32-48(63(20,21)22)53(74)49(37)64(23,24)25)34-66-55-67-54(65-33-38-26-42(57(2,3)4)50(71)43(27-38)58(5,6)7)68-56(69-55)70(35-39-28-44(59(8,9)10)51(72)45(29-39)60(11,12)13)36-40-30-46(61(14,15)16)52(73)47(31-40)62(17,18)19/h26-32,71-74H,33-36H2,1-25H3,(H2,65,66,67,68,69)
InChIKeyZKSCEQJQRHMQNX-UHFFFAOYSA-N
XLogP15.81
TPSA146.89 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001013.51
LogP ≤ 515.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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

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Related Compounds

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
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
2,6-ditert-butyl-4-[(dimethylamino)methyl]phenol;2,6-ditert-butyl-4-(ethylaminomethyl)phenol;chloride
CID 160526279
4-[2-[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-2-methylpropyl]-2,6-ditert-butylphenol
CID 174550214
6-tert-butyl-4-[(2,2-dimethylhydrazinyl)methyl]-2,3-dimethylphenol
CID 57063776
2,6-ditert-butyl-4-[[N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methoxyanilino]methyl]phenol
CID 15312102
1-(3,5-ditert-butyl-4-hydroxyphenyl)butane-2,3-dione
CID 57227940
4-[[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]-2-tert-butylphenol
CID 123737928
1-(3,5-ditert-butyl-4-hydroxyphenyl)propan-2-one
CID 20708554
2,6-ditert-butyl-3-methyl-4-sulfanylphenol
CID 91874561
2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol
CID 159788549
6-tert-butyl-4-[(dimethylamino)methyl]-2,3-dimethylphenol
CID 22101590

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]methyl]-2,6-ditert-butyl-3-methylphenol?
The IUPAC name of 4-[[[4-[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]methyl]-2,6-ditert-butyl-3-methylphenol (CID 146531019) is 4-[[[4-[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]methyl]-2,6-ditert-butyl-3-methylphenol.
What is the SMILES notation for 4-[[[4-[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]methyl]-2,6-ditert-butyl-3-methylphenol?
The canonical SMILES for 4-[[[4-[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]methyl]-2,6-ditert-butyl-3-methylphenol is Cc1c(CNc2nc(NCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc(N(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc(C(C)(C)C)c(O)c1C(C)(C)C.
What is the InChIKey of 4-[[[4-[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]methyl]-2,6-ditert-butyl-3-methylphenol?
The InChIKey is ZKSCEQJQRHMQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H96N6O4/c1-37-41(32-48(63(20,21)22)53(74)49(37)64(23,24)25)34-66-55-67-54(65-33-38-26-42(57(2,3)4)50(71)43(27-38)58(5,6)7)68-56(69-55)70(35-39-28-44(59(8,9)10)51(72)45(29-39)60(11,12)13)36-40-30-46(61(14,15)16)52(73)47(31-40)62(17,18)19/h26-32,71-74H,33-36H2,1-25H3,(H2,65,66,67,68,69).
What are the key properties of 4-[[[4-[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]methyl]-2,6-ditert-butyl-3-methylphenol?
4-[[[4-[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]methyl]-2,6-ditert-butyl-3-methylphenol has a molecular weight of 1013.51 g/mol, XLogP of 15.81, 11 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-[bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]amino]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]methyl]-2,6-ditert-butyl-3-methylphenol is sourced from PubChem (CID 146531019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).