2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(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]-(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;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate

C131H239N25O5 — CID 90807368

IUPAC2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(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]-(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;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate
SMILESCCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N(CCCCCCN(c2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(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)n2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.COc1ccc(C=C(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C102H195N23.C29H44N2O5/c1-30-39-56-117(57-40-31-2)84-103-85(118(58-41-32-3)59-42-33-4)106-88(105-84)122(80-71-95(14,15)113-96(16,17)72-80)65-52-48-50-54-67-124(82-75-99(22,23)115-100(24,25)76-82)91-109-90(121(64-47-38-9)79-69-93(10,11)112-94(12,13)70-79)110-92(111-91)125(83-77-101(26,27)116-102(28,29)78-83)68-55-51-49-53-66-123(81-73-97(18,19)114-98(20,21)74-81)89-107-86(119(60-43-34-5)61-44-35-6)104-87(108-89)120(62-45-36-7)63-46-37-8;1-26(2)15-21(16-27(3,4)30-26)35-24(32)23(14-19-10-12-20(34-9)13-11-19)25(33)36-22-17-28(5,6)31-29(7,8)18-22/h79-83,112-116H,30-78H2,1-29H3;10-14,21-22,30-31H,15-18H2,1-9H3
InChIKeyGAETYSXGRIDKHX-UHFFFAOYSA-N
MW2244.52 g/mol
LogP26.55
Rot. Bonds61

About 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(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]-(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;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate

2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(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]-(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;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate (PubChem CID 90807368) has the molecular formula C131H239N25O5 and a molecular weight of 2244.52 g/mol. Its IUPAC name is 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(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]-(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;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate.

Molecular Properties

Compound Name2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(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]-(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;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate
PubChem CID90807368
Molecular FormulaC131H239N25O5
Molecular Weight2244.52 g/mol
Exact Mass2242.92
IUPAC Name2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(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]-(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;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate
SMILESCCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N(CCCCCCN(c2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(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)n2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.COc1ccc(C=C(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C102H195N23.C29H44N2O5/c1-30-39-56-117(57-40-31-2)84-103-85(118(58-41-32-3)59-42-33-4)106-88(105-84)122(80-71-95(14,15)113-96(16,17)72-80)65-52-48-50-54-67-124(82-75-99(22,23)115-100(24,25)76-82)91-109-90(121(64-47-38-9)79-69-93(10,11)112-94(12,13)70-79)110-92(111-91)125(83-77-101(26,27)116-102(28,29)78-83)68-55-51-49-53-66-123(81-73-97(18,19)114-98(20,21)74-81)89-107-86(119(60-43-34-5)61-44-35-6)104-87(108-89)120(62-45-36-7)63-46-37-8;1-26(2)15-21(16-27(3,4)30-26)35-24(32)23(14-19-10-12-20(34-9)13-11-19)25(33)36-22-17-28(5,6)31-29(7,8)18-22/h79-83,112-116H,30-78H2,1-29H3;10-14,21-22,30-31H,15-18H2,1-9H3
InChIKeyGAETYSXGRIDKHX-UHFFFAOYSA-N
XLogP26.55
TPSA291.21 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds61
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002244.52
LogP ≤ 526.55
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(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]-(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;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(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]-(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;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate?
The IUPAC name of 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(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]-(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;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate (CID 90807368) is 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(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]-(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;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate.
What is the SMILES notation for 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(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]-(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;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate?
The canonical SMILES for 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(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]-(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;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate is CCCCN(CCCC)c1nc(N(CCCC)CCCC)nc(N(CCCCCCN(c2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(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)n2)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1.COc1ccc(C=C(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)cc1.
What is the InChIKey of 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(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]-(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;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate?
The InChIKey is GAETYSXGRIDKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H195N23.C29H44N2O5/c1-30-39-56-117(57-40-31-2)84-103-85(118(58-41-32-3)59-42-33-4)106-88(105-84)122(80-71-95(14,15)113-96(16,17)72-80)65-52-48-50-54-67-124(82-75-99(22,23)115-100(24,25)76-82)91-109-90(121(64-47-38-9)79-69-93(10,11)112-94(12,13)70-79)110-92(111-91)125(83-77-101(26,27)116-102(28,29)78-83)68-55-51-49-53-66-123(81-73-97(18,19)114-98(20,21)74-81)89-107-86(119(60-43-34-5)61-44-35-6)104-87(108-89)120(62-45-36-7)63-46-37-8;1-26(2)15-21(16-27(3,4)30-26)35-24(32)23(14-19-10-12-20(34-9)13-11-19)25(33)36-22-17-28(5,6)31-29(7,8)18-22/h79-83,112-116H,30-78H2,1-29H3;10-14,21-22,30-31H,15-18H2,1-9H3.
What are the key properties of 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(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]-(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;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate?
2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(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]-(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;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate has a molecular weight of 2244.52 g/mol, XLogP of 26.55, 61 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(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]-(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;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-[(4-methoxyphenyl)methylidene]propanedioate is sourced from PubChem (CID 90807368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).