C124H234N32 — CID 18358594
2-N-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-4-N,6-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 18358594) has the molecular formula C124H234N32 and a molecular weight of 2173.46 g/mol. Its IUPAC name is 2-N-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-4-N,6-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine.
| Compound Name | 2-N-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-4-N,6-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine |
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| PubChem CID | 18358594 |
| Molecular Formula | C124H234N32 |
| Molecular Weight | 2173.46 g/mol |
| Exact Mass | 2171.93 |
| IUPAC Name | 2-N-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[2-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-[3-[[4,6-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propyl]amino]ethyl]amino]propyl]-4-N,6-N-bis[4-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine |
| SMILES | CC1(C)CC(CCCCNc2nc(NCCCCC3CC(C)(C)NC(C)(C)C3)nc(NCCCN(CCN(CCCNc3nc(NCCCCC4CC(C)(C)NC(C)(C)C4)nc(NCCCCC4CC(C)(C)NC(C)(C)C4)n3)c3nc(NCCCCC4CC(C)(C)NC(C)(C)C4)nc(NCCCCC4CC(C)(C)NC(C)(C)C4)n3)c3nc(NCCCCC4CC(C)(C)NC(C)(C)C4)nc(NCCCCC4CC(C)(C)NC(C)(C)C4)n3)n2)CC(C)(C)N1 |
| InChI | InChI=1S/C124H234N32/c1-109(2)73-89(74-110(3,4)147-109)51-33-41-59-125-97-135-98(126-60-42-34-52-90-75-111(5,6)148-112(7,8)76-90)138-101(137-97)133-67-49-69-155(107-143-103(129-63-45-37-55-93-81-117(17,18)151-118(19,20)82-93)141-104(144-107)130-64-46-38-56-94-83-119(21,22)152-120(23,24)84-94)71-72-156(108-145-105(131-65-47-39-57-95-85-121(25,26)153-122(27,28)86-95)142-106(146-108)132-66-48-40-58-96-87-123(29,30)154-124(31,32)88-96)70-50-68-134-102-139-99(127-61-43-35-53-91-77-113(9,10)149-114(11,12)78-91)136-100(140-102)128-62-44-36-54-92-79-115(13,14)150-116(15,16)80-92/h89-96,147-154H,33-88H2,1-32H3,(H2,129,130,141,143,144)(H2,131,132,142,145,146)(H3,125,126,133,135,137,138)(H3,127,128,134,136,139,140) |
| InChIKey | BCTOYTDEIJRERU-UHFFFAOYSA-N |
| XLogP | 24.86 |
| TPSA | 377.70 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 63 |
| Heavy Atoms | 156 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2173.46 |
| LogP ≤ 5 | 24.86 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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