2-N-[6-[1-[4-[6-[1-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C106H203N23 — CID 147550421

IUPAC2-N-[6-[1-[4-[6-[1-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(CCCC)c1nc(C(C)N(CCCCCCN(c2nc(C(C)N(CCCCCCN(c3nc(N(CCCC)CCCC)nc(N(CCCC)CCCC)n3)C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)nc(N(CCCC)CCCC)n1
InChIInChI=1S/C106H203N23/c1-32-41-58-121(59-42-33-2)90-107-88(108-91(111-90)122(60-43-34-3)61-44-35-4)81(10)125(83-71-97(12,13)116-98(14,15)72-83)67-54-50-52-56-69-128(86-77-103(24,25)119-104(26,27)78-86)95-110-89(109-94(115-95)127(66-49-40-9)85-75-101(20,21)118-102(22,23)76-85)82(11)126(84-73-99(16,17)117-100(18,19)74-84)68-55-51-53-57-70-129(87-79-105(28,29)120-106(30,31)80-87)96-113-92(123(62-45-36-5)63-46-37-6)112-93(114-96)124(64-47-38-7)65-48-39-8/h81-87,116-120H,32-80H2,1-31H3
InChIKeyFQQWCSSGPGIZGS-UHFFFAOYSA-N
MW1799.95 g/mol
LogP22.88
Rot. Bonds57

About 2-N-[6-[1-[4-[6-[1-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

2-N-[6-[1-[4-[6-[1-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 147550421) has the molecular formula C106H203N23 and a molecular weight of 1799.95 g/mol. Its IUPAC name is 2-N-[6-[1-[4-[6-[1-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[6-[1-[4-[6-[1-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID147550421
Molecular FormulaC106H203N23
Molecular Weight1799.95 g/mol
Exact Mass1798.66
IUPAC Name2-N-[6-[1-[4-[6-[1-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(CCCC)c1nc(C(C)N(CCCCCCN(c2nc(C(C)N(CCCCCCN(c3nc(N(CCCC)CCCC)nc(N(CCCC)CCCC)n3)C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)nc(N(CCCC)CCCC)n1
InChIInChI=1S/C106H203N23/c1-32-41-58-121(59-42-33-2)90-107-88(108-91(111-90)122(60-43-34-3)61-44-35-4)81(10)125(83-71-97(12,13)116-98(14,15)72-83)67-54-50-52-56-69-128(86-77-103(24,25)119-104(26,27)78-86)95-110-89(109-94(115-95)127(66-49-40-9)85-75-101(20,21)118-102(22,23)76-85)82(11)126(84-73-99(16,17)117-100(18,19)74-84)68-55-51-53-57-70-129(87-79-105(28,29)120-106(30,31)80-87)96-113-92(123(62-45-36-5)63-46-37-6)112-93(114-96)124(64-47-38-7)65-48-39-8/h81-87,116-120H,32-80H2,1-31H3
InChIKeyFQQWCSSGPGIZGS-UHFFFAOYSA-N
XLogP22.88
TPSA205.32 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds57
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001799.95
LogP ≤ 522.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N-[6-[1-[4-[6-[1-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[6-[1-[4-[6-[1-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[6-[1-[4-[6-[1-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 147550421) is 2-N-[6-[1-[4-[6-[1-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[6-[1-[4-[6-[1-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[6-[1-[4-[6-[1-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCCCN(CCCC)c1nc(C(C)N(CCCCCCN(c2nc(C(C)N(CCCCCCN(c3nc(N(CCCC)CCCC)nc(N(CCCC)CCCC)n3)C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)nc(N(CCCC)CCCC)n1.
What is the InChIKey of 2-N-[6-[1-[4-[6-[1-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FQQWCSSGPGIZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H203N23/c1-32-41-58-121(59-42-33-2)90-107-88(108-91(111-90)122(60-43-34-3)61-44-35-4)81(10)125(83-71-97(12,13)116-98(14,15)72-83)67-54-50-52-56-69-128(86-77-103(24,25)119-104(26,27)78-86)95-110-89(109-94(115-95)127(66-49-40-9)85-75-101(20,21)118-102(22,23)76-85)82(11)126(84-73-99(16,17)117-100(18,19)74-84)68-55-51-53-57-70-129(87-79-105(28,29)120-106(30,31)80-87)96-113-92(123(62-45-36-5)63-46-37-6)112-93(114-96)124(64-47-38-7)65-48-39-8/h81-87,116-120H,32-80H2,1-31H3.
What are the key properties of 2-N-[6-[1-[4-[6-[1-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
2-N-[6-[1-[4-[6-[1-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1799.95 g/mol, XLogP of 22.88, 57 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[6-[1-[4-[6-[1-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 147550421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).