C134H256N34 — CID 59806376
6-N-[3-[6-[bis[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]hexyl-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 59806376) has the molecular formula C134H256N34 and a molecular weight of 2343.76 g/mol. Its IUPAC name is 6-N-[3-[6-[bis[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]hexyl-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
| Compound Name | 6-N-[3-[6-[bis[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]hexyl-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine |
|---|---|
| PubChem CID | 59806376 |
| Molecular Formula | C134H256N34 |
| Molecular Weight | 2343.76 g/mol |
| Exact Mass | 2342.11 |
| IUPAC Name | 6-N-[3-[6-[bis[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]hexyl-[3-[[4,6-bis[butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]propyl]amino]propyl]-2-N,4-N-dibutyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine |
| SMILES | CCCCN(c1nc(NCCCN(CCCCCCN(CCCNc2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)CCCNc2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)CCCNc2nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)nc(N(CCCC)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1 |
| InChI | InChI=1S/C134H256N34/c1-41-49-75-161(99-83-119(9,10)151-120(11,12)84-99)111-139-107(140-112(147-111)162(76-50-42-2)100-85-121(13,14)152-122(15,16)86-100)135-65-61-71-159(72-62-66-136-108-141-113(163(77-51-43-3)101-87-123(17,18)153-124(19,20)88-101)148-114(142-108)164(78-52-44-4)102-89-125(21,22)154-126(23,24)90-102)69-59-57-58-60-70-160(73-63-67-137-109-143-115(165(79-53-45-5)103-91-127(25,26)155-128(27,28)92-103)149-116(144-109)166(80-54-46-6)104-93-129(29,30)156-130(31,32)94-104)74-64-68-138-110-145-117(167(81-55-47-7)105-95-131(33,34)157-132(35,36)96-105)150-118(146-110)168(82-56-48-8)106-97-133(37,38)158-134(39,40)98-106/h99-106,151-158H,41-98H2,1-40H3,(H,135,139,140,147)(H,136,141,142,148)(H,137,143,144,149)(H,138,145,146,150) |
| InChIKey | VIVMDEFKJRHCPH-UHFFFAOYSA-N |
| XLogP | 25.23 |
| TPSA | 331.44 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 67 |
| Heavy Atoms | 168 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2343.76 |
| LogP ≤ 5 | 25.23 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 34 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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