2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]-N-[[5-[3-[5-[[[2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]acetyl]hydrazinylidene]methyl]-1H-pyrrol-2-yl]quinoxalin-2-yl]-1H-pyrrol-2-yl]methylideneamino]acetamide

C128H120N8O26 — CID 177473257

About 2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]-N-[[5-[3-[5-[[[2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]acetyl]hydrazinylidene]methyl]-1H-pyrrol-2-yl]quinoxalin-2-yl]-1H-pyrrol-2-yl]methylideneamino]acetamide

2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]-N-[[5-[3-[5-[[[2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]acetyl]hydrazinylidene]methyl]-1H-pyrrol-2-yl]quinoxalin-2-yl]-1H-pyrrol-2-yl]methylideneamino]acetamide (PubChem CID 177473257) has the molecular formula C128H120N8O26 and a molecular weight of 2186.40 g/mol. Its IUPAC name is 2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]-N-[[5-[3-[5-[[[2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]acetyl]hydrazinylidene]methyl]-1H-pyrrol-2-yl]quinoxalin-2-yl]-1H-pyrrol-2-yl]methylideneamino]acetamide.

Molecular Properties

• Compound Name: 2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]-N-[[5-[3-[5-[[[2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]acetyl]hydrazinylidene]methyl]-1H-pyrrol-2-yl]quinoxalin-2-yl]-1H-pyrrol-2-yl]methylideneamino]acetamide
• PubChem CID: 177473257
• Molecular Formula: C128H120N8O26
• Molecular Weight: 2186.40 g/mol
• Exact Mass: 2184.83
• IUPAC Name: 2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]-N-[[5-[3-[5-[[[2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]acetyl]hydrazinylidene]methyl]-1H-pyrrol-2-yl]quinoxalin-2-yl]-1H-pyrrol-2-yl]methylideneamino]acetamide
• SMILES: COc1cc2c3cc1OCCOc1cc4c(cc1OC)Cc1cc5c(OCC(=O)NN=Cc6ccc(-c7nc8ccccc8nc7-c7ccc(C=NNC(=O)COc8cc9c%10cc8OCCOc8cc%11c(cc8OC)Cc8cc%12c(OC)cc8Cc8cc(c(OC)cc8C%11)OCCOc8cc(c(cc8OC)C%10)Cc8cc(OC)c(cc8C9)OCCO%12)[nH]7)[nH]6)cc1Cc1cc(c(OC)cc1C4)OCCOc1cc(c(cc1OC)C3)Cc1cc(OC)c(cc1C2)OCCO5
• InChI: InChI=1S/C128H120N8O26/c1-139-101-43-71-31-81-53-111-103(141-3)45-73(81)35-85-57-117-105(143-5)47-75(85)33-83(71)55-113(101)151-23-25-155-119-61-89-41-93-65-123(121(159-29-27-157-117)63-91(93)39-79-51-109(147-9)115(153-21-19-149-111)59-87(79)37-77(89)49-107(119)145-7)161-69-125(137)135-129-67-95-15-17-99(131-95)127-128(134-98-14-12-11-13-97(98)133-127)100-18-16-96(132-100)68-130-136-126(138)70-162-124-66-94-42-90-62-120-108(146-8)50-78(90)38-88-60-116-110(148-10)52-80(88)40-92(94)64-122(124)160-30-28-158-118-58-86-36-74-46-104(142-4)112(150-20-22-154-116)54-82(74)32-72-44-102(140-2)114(152-24-26-156-120)56-84(72)34-76(86)48-106(118)144-6/h11-18,43-68,131-132H,19-42,69-70H2,1-10H3,(H,135,137)(H,136,138)
• InChIKey: JZRLZXHEHWZWQC-UHFFFAOYSA-N
• XLogP: 19.11
• TPSA: 361.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2186.40
LogP ≤ 5	19.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]-N-[[5-[3-[5-[[[2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]acetyl]hydrazinylidene]methyl]-1H-pyrrol-2-yl]quinoxalin-2-yl]-1H-pyrrol-2-yl]methylideneamino]acetamide?

The IUPAC name of 2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]-N-[[5-[3-[5-[[[2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]acetyl]hydrazinylidene]methyl]-1H-pyrrol-2-yl]quinoxalin-2-yl]-1H-pyrrol-2-yl]methylideneamino]acetamide (CID 177473257) is 2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]-N-[[5-[3-[5-[[[2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]acetyl]hydrazinylidene]methyl]-1H-pyrrol-2-yl]quinoxalin-2-yl]-1H-pyrrol-2-yl]methylideneamino]acetamide.

What is the SMILES notation for 2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]-N-[[5-[3-[5-[[[2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]acetyl]hydrazinylidene]methyl]-1H-pyrrol-2-yl]quinoxalin-2-yl]-1H-pyrrol-2-yl]methylideneamino]acetamide?

The canonical SMILES for 2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]-N-[[5-[3-[5-[[[2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]acetyl]hydrazinylidene]methyl]-1H-pyrrol-2-yl]quinoxalin-2-yl]-1H-pyrrol-2-yl]methylideneamino]acetamide is COc1cc2c3cc1OCCOc1cc4c(cc1OC)Cc1cc5c(OCC(=O)NN=Cc6ccc(-c7nc8ccccc8nc7-c7ccc(C=NNC(=O)COc8cc9c%10cc8OCCOc8cc%11c(cc8OC)Cc8cc%12c(OC)cc8Cc8cc(c(OC)cc8C%11)OCCOc8cc(c(cc8OC)C%10)Cc8cc(OC)c(cc8C9)OCCO%12)[nH]7)[nH]6)cc1Cc1cc(c(OC)cc1C4)OCCOc1cc(c(cc1OC)C3)Cc1cc(OC)c(cc1C2)OCCO5.

What is the InChIKey of 2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]-N-[[5-[3-[5-[[[2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]acetyl]hydrazinylidene]methyl]-1H-pyrrol-2-yl]quinoxalin-2-yl]-1H-pyrrol-2-yl]methylideneamino]acetamide?

The InChIKey is JZRLZXHEHWZWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H120N8O26/c1-139-101-43-71-31-81-53-111-103(141-3)45-73(81)35-85-57-117-105(143-5)47-75(85)33-83(71)55-113(101)151-23-25-155-119-61-89-41-93-65-123(121(159-29-27-157-117)63-91(93)39-79-51-109(147-9)115(153-21-19-149-111)59-87(79)37-77(89)49-107(119)145-7)161-69-125(137)135-129-67-95-15-17-99(131-95)127-128(134-98-14-12-11-13-97(98)133-127)100-18-16-96(132-100)68-130-136-126(138)70-162-124-66-94-42-90-62-120-108(146-8)50-78(90)38-88-60-116-110(148-10)52-80(88)40-92(94)64-122(124)160-30-28-158-118-58-86-36-74-46-104(142-4)112(150-20-22-154-116)54-82(74)32-72-44-102(140-2)114(152-24-26-156-120)56-84(72)34-76(86)48-106(118)144-6/h11-18,43-68,131-132H,19-42,69-70H2,1-10H3,(H,135,137)(H,136,138).

What are the key properties of 2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]-N-[[5-[3-[5-[[[2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]acetyl]hydrazinylidene]methyl]-1H-pyrrol-2-yl]quinoxalin-2-yl]-1H-pyrrol-2-yl]methylideneamino]acetamide?

2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]-N-[[5-[3-[5-[[[2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]acetyl]hydrazinylidene]methyl]-1H-pyrrol-2-yl]quinoxalin-2-yl]-1H-pyrrol-2-yl]methylideneamino]acetamide has a molecular weight of 2186.40 g/mol, XLogP of 19.11, 22 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]-N-[[5-[3-[5-[[[2-[(9,16,23,30,37-pentamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaen-2-yl)oxy]acetyl]hydrazinylidene]methyl]-1H-pyrrol-2-yl]quinoxalin-2-yl]-1H-pyrrol-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 177473257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).