29-[(E)-2-(6,8,17,19-tetraoxo-7-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-6-[(E)-2-(6,8,17,19-tetraoxo-18-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-10,22-di(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone

C146H124N8O16 — CID 129303740

About 29-[(E)-2-(6,8,17,19-tetraoxo-7-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-6-[(E)-2-(6,8,17,19-tetraoxo-18-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-10,22-di(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone

29-[(E)-2-(6,8,17,19-tetraoxo-7-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-6-[(E)-2-(6,8,17,19-tetraoxo-18-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-10,22-di(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone (PubChem CID 129303740) has the molecular formula C146H124N8O16 and a molecular weight of 2246.64 g/mol. Its IUPAC name is 29-[(E)-2-(6,8,17,19-tetraoxo-7-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-6-[(E)-2-(6,8,17,19-tetraoxo-18-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-10,22-di(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone.

Molecular Properties

• Compound Name: 29-[(E)-2-(6,8,17,19-tetraoxo-7-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-6-[(E)-2-(6,8,17,19-tetraoxo-18-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-10,22-di(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone
• PubChem CID: 129303740
• Molecular Formula: C146H124N8O16
• Molecular Weight: 2246.64 g/mol
• Exact Mass: 2244.91
• IUPAC Name: 29-[(E)-2-(6,8,17,19-tetraoxo-7-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-6-[(E)-2-(6,8,17,19-tetraoxo-18-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-10,22-di(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone
• SMILES: CCCCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(cc(/C=C/c7cc8c(=O)n(CCCCCCCCCCC)c(=O)c9cc%10c%11c%12cc%13c(=O)n(CCCCCCCCCCC)c(=O)c%14ccc%15c%16c(/C=C/c%17cc%18c%19c(ccc%20c%21ccc%22c%23c(ccc(c%17c%19%20)c%23%21)C(=O)NC%22=O)C(=O)N(CCCCCCCCCCC)C%18=O)cc%17c(=O)[nH]c(=O)c%18cc(c%11c%11cc%19c(=O)[nH]c(=O)c%20ccc%21c7c(c89)c%10c%11c%21c%20%19)c(c%12c%15c%14%13)c%16c%17%18)c(c7ccc(c2c37)C1=O)c64)C(=O)NC5=O
• InChI: InChI=1S/C146H124N8O16/c1-5-9-13-17-21-25-29-33-37-61-151-139(163)89-57-47-78-79-46-54-87-112-97(135(159)148-133(87)157)65-73(105(121(79)112)82-51-59-90(140(151)164)114(89)110(78)82)41-44-76-68-102-120-104(146(170)154(144(102)168)64-40-36-32-28-24-20-16-12-8-4)72-96-118-95-71-103-116-92(142(166)153(145(103)169)63-39-35-31-27-23-19-15-11-7-3)60-52-84-107-74(66-98-119-100(138(162)150-136(98)160)70-94(127(129(107)119)126(95)124(84)116)117(118)93-69-99-113-88(134(158)149-137(99)161)56-50-83-108(76)130(120)128(96)125(93)123(83)113)42-43-75-67-101-115-91(141(165)152(143(101)167)62-38-34-30-26-22-18-14-10-6-2)58-48-80-77-45-53-85-111-86(132(156)147-131(85)155)55-49-81(109(77)111)106(75)122(80)115/h41-60,65-72H,5-40,61-64H2,1-4H3,(H,147,155,156)(H,148,157,159)(H,149,158,161)(H,150,160,162)/b43-42+,44-41+
• InChIKey: MCAWBIRAOFVPLD-DEDZDDKGSA-N
• XLogP: 31.15
• TPSA: 345.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 44
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2246.64
LogP ≤ 5	31.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 29-[(E)-2-(6,8,17,19-tetraoxo-7-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-6-[(E)-2-(6,8,17,19-tetraoxo-18-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-10,22-di(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone?

The IUPAC name of 29-[(E)-2-(6,8,17,19-tetraoxo-7-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-6-[(E)-2-(6,8,17,19-tetraoxo-18-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-10,22-di(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone (CID 129303740) is 29-[(E)-2-(6,8,17,19-tetraoxo-7-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-6-[(E)-2-(6,8,17,19-tetraoxo-18-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-10,22-di(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone.

What is the SMILES notation for 29-[(E)-2-(6,8,17,19-tetraoxo-7-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-6-[(E)-2-(6,8,17,19-tetraoxo-18-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-10,22-di(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone?

The canonical SMILES for 29-[(E)-2-(6,8,17,19-tetraoxo-7-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-6-[(E)-2-(6,8,17,19-tetraoxo-18-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-10,22-di(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone is CCCCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(cc(/C=C/c7cc8c(=O)n(CCCCCCCCCCC)c(=O)c9cc%10c%11c%12cc%13c(=O)n(CCCCCCCCCCC)c(=O)c%14ccc%15c%16c(/C=C/c%17cc%18c%19c(ccc%20c%21ccc%22c%23c(ccc(c%17c%19%20)c%23%21)C(=O)NC%22=O)C(=O)N(CCCCCCCCCCC)C%18=O)cc%17c(=O)[nH]c(=O)c%18cc(c%11c%11cc%19c(=O)[nH]c(=O)c%20ccc%21c7c(c89)c%10c%11c%21c%20%19)c(c%12c%15c%14%13)c%16c%17%18)c(c7ccc(c2c37)C1=O)c64)C(=O)NC5=O.

What is the InChIKey of 29-[(E)-2-(6,8,17,19-tetraoxo-7-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-6-[(E)-2-(6,8,17,19-tetraoxo-18-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-10,22-di(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone?

The InChIKey is MCAWBIRAOFVPLD-DEDZDDKGSA-N. The full InChI is InChI=1S/C146H124N8O16/c1-5-9-13-17-21-25-29-33-37-61-151-139(163)89-57-47-78-79-46-54-87-112-97(135(159)148-133(87)157)65-73(105(121(79)112)82-51-59-90(140(151)164)114(89)110(78)82)41-44-76-68-102-120-104(146(170)154(144(102)168)64-40-36-32-28-24-20-16-12-8-4)72-96-118-95-71-103-116-92(142(166)153(145(103)169)63-39-35-31-27-23-19-15-11-7-3)60-52-84-107-74(66-98-119-100(138(162)150-136(98)160)70-94(127(129(107)119)126(95)124(84)116)117(118)93-69-99-113-88(134(158)149-137(99)161)56-50-83-108(76)130(120)128(96)125(93)123(83)113)42-43-75-67-101-115-91(141(165)152(143(101)167)62-38-34-30-26-22-18-14-10-6-2)58-48-80-77-45-53-85-111-86(132(156)147-131(85)155)55-49-81(109(77)111)106(75)122(80)115/h41-60,65-72H,5-40,61-64H2,1-4H3,(H,147,155,156)(H,148,157,159)(H,149,158,161)(H,150,160,162)/b43-42+,44-41+.

What are the key properties of 29-[(E)-2-(6,8,17,19-tetraoxo-7-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-6-[(E)-2-(6,8,17,19-tetraoxo-18-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-10,22-di(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone?

29-[(E)-2-(6,8,17,19-tetraoxo-7-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-6-[(E)-2-(6,8,17,19-tetraoxo-18-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-10,22-di(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone has a molecular weight of 2246.64 g/mol, XLogP of 31.15, 44 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 29-[(E)-2-(6,8,17,19-tetraoxo-7-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-6-[(E)-2-(6,8,17,19-tetraoxo-18-undecyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-11-yl)ethenyl]-10,22-di(undecyl)-10,22,33,45-tetrazahexadecacyclo[41.7.1.14,8.116,20.135,39.02,41.03,14.05,50.015,40.017,38.018,27.019,24.028,37.031,36.047,51.012,54]tetrapentaconta-1,3,5(50),6,8(54),12,14,16,18(27),19(24),20(53),25,28(37),29,31(36),35(52),38,40,42,47(51),48-henicosaene-9,11,21,23,32,34,44,46-octone is sourced from PubChem (CID 129303740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).