N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]ethane-1,2-diamine

C116H208N26O8 — CID 22068136

IUPACN,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]ethane-1,2-diamine
SMILESCN1C(C)(C)CC(Oc2nc(OC3CC(C)(C)N(C)C(C)(C)C3)nc(N(CCN(CCN(c3nc(OC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)c3nc(OC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)CCN(c3nc(OC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C116H208N26O8/c1-97(2)55-75(56-98(3,4)129-97)141(87-121-93(147-81-67-109(25,26)135(45)110(27,28)68-81)127-94(122-87)148-82-69-111(29,30)136(46)112(31,32)70-82)53-51-139(85-117-89(143-77-59-101(9,10)131(41)102(11,12)60-77)125-90(118-85)144-78-61-103(13,14)132(42)104(15,16)62-78)49-50-140(86-119-91(145-79-63-105(17,18)133(43)106(19,20)64-79)126-92(120-86)146-80-65-107(21,22)134(44)108(23,24)66-80)52-54-142(76-57-99(5,6)130-100(7,8)58-76)88-123-95(149-83-71-113(33,34)137(47)114(35,36)72-83)128-96(124-88)150-84-73-115(37,38)138(48)116(39,40)74-84/h75-84,129-130H,49-74H2,1-48H3
InChIKeyZEIJTLNHJOYSJT-UHFFFAOYSA-N
MW2095.11 g/mol
LogP18.61
Rot. Bonds31

About N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]ethane-1,2-diamine

N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]ethane-1,2-diamine (PubChem CID 22068136) has the molecular formula C116H208N26O8 and a molecular weight of 2095.11 g/mol. Its IUPAC name is N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]ethane-1,2-diamine
PubChem CID22068136
Molecular FormulaC116H208N26O8
Molecular Weight2095.11 g/mol
Exact Mass2093.67
IUPAC NameN,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]ethane-1,2-diamine
SMILESCN1C(C)(C)CC(Oc2nc(OC3CC(C)(C)N(C)C(C)(C)C3)nc(N(CCN(CCN(c3nc(OC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)c3nc(OC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)CCN(c3nc(OC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C116H208N26O8/c1-97(2)55-75(56-98(3,4)129-97)141(87-121-93(147-81-67-109(25,26)135(45)110(27,28)68-81)127-94(122-87)148-82-69-111(29,30)136(46)112(31,32)70-82)53-51-139(85-117-89(143-77-59-101(9,10)131(41)102(11,12)60-77)125-90(118-85)144-78-61-103(13,14)132(42)104(15,16)62-78)49-50-140(86-119-91(145-79-63-105(17,18)133(43)106(19,20)64-79)126-92(120-86)146-80-65-107(21,22)134(44)108(23,24)66-80)52-54-142(76-57-99(5,6)130-100(7,8)58-76)88-123-95(149-83-71-113(33,34)137(47)114(35,36)72-83)128-96(124-88)150-84-73-115(37,38)138(48)116(39,40)74-84/h75-84,129-130H,49-74H2,1-48H3
InChIKeyZEIJTLNHJOYSJT-UHFFFAOYSA-N
XLogP18.61
TPSA291.46 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds31
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002095.11
LogP ≤ 518.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Analyze N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]ethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]ethane-1,2-diamine (CID 22068136) is N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]ethane-1,2-diamine is CN1C(C)(C)CC(Oc2nc(OC3CC(C)(C)N(C)C(C)(C)C3)nc(N(CCN(CCN(c3nc(OC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)c3nc(OC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)CCN(c3nc(OC4CC(C)(C)N(C)C(C)(C)C4)nc(OC4CC(C)(C)N(C)C(C)(C)C4)n3)C3CC(C)(C)NC(C)(C)C3)n2)CC1(C)C.
What is the InChIKey of N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]ethane-1,2-diamine?
The InChIKey is ZEIJTLNHJOYSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H208N26O8/c1-97(2)55-75(56-98(3,4)129-97)141(87-121-93(147-81-67-109(25,26)135(45)110(27,28)68-81)127-94(122-87)148-82-69-111(29,30)136(46)112(31,32)70-82)53-51-139(85-117-89(143-77-59-101(9,10)131(41)102(11,12)60-77)125-90(118-85)144-78-61-103(13,14)132(42)104(15,16)62-78)49-50-140(86-119-91(145-79-63-105(17,18)133(43)106(19,20)64-79)126-92(120-86)146-80-65-107(21,22)134(44)108(23,24)66-80)52-54-142(76-57-99(5,6)130-100(7,8)58-76)88-123-95(149-83-71-113(33,34)137(47)114(35,36)72-83)128-96(124-88)150-84-73-115(37,38)138(48)116(39,40)74-84/h75-84,129-130H,49-74H2,1-48H3.
What are the key properties of N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]ethane-1,2-diamine?
N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]ethane-1,2-diamine has a molecular weight of 2095.11 g/mol, XLogP of 18.61, 31 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-N,N'-bis[2-[[4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 22068136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).