N-[2-[2-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]ethoxy]ethyl]-6-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)hexanamide;6-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-N-[3-[2-[2-[10-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-5-oxodecoxy]ethoxy]ethoxy]propyl]hexanamide;3-[dimethyl-[3-[4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]azanium;3-[dimethyl-[3-(2-oxochromen-3-yl)propyl]azaniumyl]propyl-[3-(4,15-dioxa-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]-dimethylazanium;octaiodide;trihydroiodide

C209H242Cl2I11N22O16S5+3 — CID 158371614

About N-[2-[2-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]ethoxy]ethyl]-6-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)hexanamide;6-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-N-[3-[2-[2-[10-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-5-oxodecoxy]ethoxy]ethoxy]propyl]hexanamide;3-[dimethyl-[3-[4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]azanium;3-[dimethyl-[3-(2-oxochromen-3-yl)propyl]azaniumyl]propyl-[3-(4,15-dioxa-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]-dimethylazanium;octaiodide;trihydroiodide

N-[2-[2-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]ethoxy]ethyl]-6-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)hexanamide;6-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-N-[3-[2-[2-[10-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-5-oxodecoxy]ethoxy]ethoxy]propyl]hexanamide;3-[dimethyl-[3-[4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]azanium;3-[dimethyl-[3-(2-oxochromen-3-yl)propyl]azaniumyl]propyl-[3-(4,15-dioxa-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]-dimethylazanium;octaiodide;trihydroiodide (PubChem CID 158371614) has the molecular formula C209H242Cl2I11N22O16S5+3 and a molecular weight of 4945.56 g/mol. Its IUPAC name is N-[2-[2-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]ethoxy]ethyl]-6-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)hexanamide;6-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-N-[3-[2-[2-[10-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-5-oxodecoxy]ethoxy]ethoxy]propyl]hexanamide;3-[dimethyl-[3-[4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]azanium;3-[dimethyl-[3-(2-oxochromen-3-yl)propyl]azaniumyl]propyl-[3-(4,15-dioxa-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]-dimethylazanium;octaiodide;trihydroiodide.

Molecular Properties

• Compound Name: N-[2-[2-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]ethoxy]ethyl]-6-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)hexanamide;6-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-N-[3-[2-[2-[10-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-5-oxodecoxy]ethoxy]ethoxy]propyl]hexanamide;3-[dimethyl-[3-[4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]azanium;3-[dimethyl-[3-(2-oxochromen-3-yl)propyl]azaniumyl]propyl-[3-(4,15-dioxa-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]-dimethylazanium;octaiodide;trihydroiodide
• PubChem CID: 158371614
• Molecular Formula: C209H242Cl2I11N22O16S5+3
• Molecular Weight: 4945.56 g/mol
• Exact Mass: 4941.63
• IUPAC Name: N-[2-[2-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]ethoxy]ethyl]-6-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)hexanamide;6-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-N-[3-[2-[2-[10-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-5-oxodecoxy]ethoxy]ethoxy]propyl]hexanamide;3-[dimethyl-[3-[4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]azanium;3-[dimethyl-[3-(2-oxochromen-3-yl)propyl]azaniumyl]propyl-[3-(4,15-dioxa-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]-dimethylazanium;octaiodide;trihydroiodide
• SMILES: CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)NCCOCCNC(=O)CCCCC[n+]3ccc4c5c(cccc53)OC3CCN5C(=C43)Sc3ccccc35)c2c1.CN1C(=Cc2cc[n+](CCC[N+](C)(C)CCC[N+](C)(C)CCC[n+]3ccc4c5c(cccc53)OC3CCN5C(=C43)Sc3ccccc35)c3ccccc23)Sc2ccccc21.C[N+](C)(CCCc1cc2ccccc2oc1=O)CCC[N+](C)(C)CCC[n+]1ccc2c3c(cccc31)OC1CCN3C(=C21)Oc1ccccc13.I.I.I.O=C(CCCCC[n+]1ccc2c3c(cccc31)OC1CCN3C(=C21)Sc1ccc(Cl)cc13)CCCCOCCOCCOCCCNC(=O)CCCCC[n+]1ccc2c3c(cccc31)OC1CCN3C(=C21)Sc1ccc(Cl)cc13.[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-]
• InChI: InChI=1S/C63H68Cl2N5O7S2.C53H61N7O4S.C51H58N6OS2.C42H49N4O4.11HI/c64-42-19-21-55-49(40-42)69-32-25-53-60(62(69)78-55)45-23-30-67(47-14-9-16-51(76-53)58(45)47)28-6-1-3-12-44(71)13-5-8-34-73-36-38-75-39-37-74-35-11-27-66-57(72)18-4-2-7-29-68-31-24-46-59-48(68)15-10-17-52(59)77-54-26-33-70-50-41-43(65)20-22-56(50)79-63(70)61(46)54;1-56(2)39-22-20-37-34-38-21-23-40(57(3)4)36-45(38)59(44(37)35-39)29-12-6-8-19-50(62)55-27-33-63-32-26-54-49(61)18-7-5-11-28-58-30-24-41-51-43(58)15-13-16-46(51)64-47-25-31-60-42-14-9-10-17-48(42)65-53(60)52(41)47;1-52-41-18-8-10-22-46(41)59-48(52)36-37-24-29-53(40-17-7-6-16-38(37)40)27-13-32-56(2,3)34-15-35-57(4,5)33-14-28-54-30-25-39-49-43(54)20-12-21-44(49)58-45-26-31-55-42-19-9-11-23-47(42)60-51(55)50(39)45;1-45(2,25-10-14-31-29-30-13-5-7-17-35(30)50-42(31)47)27-12-28-46(3,4)26-11-22-43-23-20-32-39-34(43)16-9-19-37(39)48-38-21-24-44-33-15-6-8-18-36(33)49-41(44)40(32)38;;;;;;;;;;;/h9-10,14-17,19-24,30-31,40-41,53-54H,1-8,11-13,18,25-29,32-39H2;9-10,13-17,20-24,30,34-36,47H,5-8,11-12,18-19,25-29,31-33H2,1-4H3;6-12,16-25,29-30,36,45H,13-15,26-28,31-35H2,1-5H3;5-9,13,15-20,23,29,38H,10-12,14,21-22,24-28H2,1-4H3;11*1H/q+1;;+4;+3;;;;;;;;;;;/p-5
• InChIKey: XLJVNHMDARUHKW-UHFFFAOYSA-I
• XLogP: 15.25
• TPSA: 279.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 72
• Heavy Atoms: 265
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4945.56
LogP ≤ 5	15.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]ethoxy]ethyl]-6-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)hexanamide;6-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-N-[3-[2-[2-[10-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-5-oxodecoxy]ethoxy]ethoxy]propyl]hexanamide;3-[dimethyl-[3-[4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]azanium;3-[dimethyl-[3-(2-oxochromen-3-yl)propyl]azaniumyl]propyl-[3-(4,15-dioxa-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]-dimethylazanium;octaiodide;trihydroiodide?

The IUPAC name of N-[2-[2-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]ethoxy]ethyl]-6-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)hexanamide;6-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-N-[3-[2-[2-[10-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-5-oxodecoxy]ethoxy]ethoxy]propyl]hexanamide;3-[dimethyl-[3-[4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]azanium;3-[dimethyl-[3-(2-oxochromen-3-yl)propyl]azaniumyl]propyl-[3-(4,15-dioxa-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]-dimethylazanium;octaiodide;trihydroiodide (CID 158371614) is N-[2-[2-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]ethoxy]ethyl]-6-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)hexanamide;6-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-N-[3-[2-[2-[10-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-5-oxodecoxy]ethoxy]ethoxy]propyl]hexanamide;3-[dimethyl-[3-[4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]azanium;3-[dimethyl-[3-(2-oxochromen-3-yl)propyl]azaniumyl]propyl-[3-(4,15-dioxa-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]-dimethylazanium;octaiodide;trihydroiodide.

What is the SMILES notation for N-[2-[2-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]ethoxy]ethyl]-6-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)hexanamide;6-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-N-[3-[2-[2-[10-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-5-oxodecoxy]ethoxy]ethoxy]propyl]hexanamide;3-[dimethyl-[3-[4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]azanium;3-[dimethyl-[3-(2-oxochromen-3-yl)propyl]azaniumyl]propyl-[3-(4,15-dioxa-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]-dimethylazanium;octaiodide;trihydroiodide?

The canonical SMILES for N-[2-[2-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]ethoxy]ethyl]-6-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)hexanamide;6-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-N-[3-[2-[2-[10-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-5-oxodecoxy]ethoxy]ethoxy]propyl]hexanamide;3-[dimethyl-[3-[4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]azanium;3-[dimethyl-[3-(2-oxochromen-3-yl)propyl]azaniumyl]propyl-[3-(4,15-dioxa-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]-dimethylazanium;octaiodide;trihydroiodide is CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)NCCOCCNC(=O)CCCCC[n+]3ccc4c5c(cccc53)OC3CCN5C(=C43)Sc3ccccc35)c2c1.CN1C(=Cc2cc[n+](CCC[N+](C)(C)CCC[N+](C)(C)CCC[n+]3ccc4c5c(cccc53)OC3CCN5C(=C43)Sc3ccccc35)c3ccccc23)Sc2ccccc21.C[N+](C)(CCCc1cc2ccccc2oc1=O)CCC[N+](C)(C)CCC[n+]1ccc2c3c(cccc31)OC1CCN3C(=C21)Oc1ccccc13.I.I.I.O=C(CCCCC[n+]1ccc2c3c(cccc31)OC1CCN3C(=C21)Sc1ccc(Cl)cc13)CCCCOCCOCCOCCCNC(=O)CCCCC[n+]1ccc2c3c(cccc31)OC1CCN3C(=C21)Sc1ccc(Cl)cc13.[I-].[I-].[I-].[I-].[I-].[I-].[I-].[I-].

What is the InChIKey of N-[2-[2-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]ethoxy]ethyl]-6-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)hexanamide;6-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-N-[3-[2-[2-[10-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-5-oxodecoxy]ethoxy]ethoxy]propyl]hexanamide;3-[dimethyl-[3-[4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]azanium;3-[dimethyl-[3-(2-oxochromen-3-yl)propyl]azaniumyl]propyl-[3-(4,15-dioxa-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]-dimethylazanium;octaiodide;trihydroiodide?

The InChIKey is XLJVNHMDARUHKW-UHFFFAOYSA-I. The full InChI is InChI=1S/C63H68Cl2N5O7S2.C53H61N7O4S.C51H58N6OS2.C42H49N4O4.11HI/c64-42-19-21-55-49(40-42)69-32-25-53-60(62(69)78-55)45-23-30-67(47-14-9-16-51(76-53)58(45)47)28-6-1-3-12-44(71)13-5-8-34-73-36-38-75-39-37-74-35-11-27-66-57(72)18-4-2-7-29-68-31-24-46-59-48(68)15-10-17-52(59)77-54-26-33-70-50-41-43(65)20-22-56(50)79-63(70)61(46)54;1-56(2)39-22-20-37-34-38-21-23-40(57(3)4)36-45(38)59(44(37)35-39)29-12-6-8-19-50(62)55-27-33-63-32-26-54-49(61)18-7-5-11-28-58-30-24-41-51-43(58)15-13-16-46(51)64-47-25-31-60-42-14-9-10-17-48(42)65-53(60)52(41)47;1-52-41-18-8-10-22-46(41)59-48(52)36-37-24-29-53(40-17-7-6-16-38(37)40)27-13-32-56(2,3)34-15-35-57(4,5)33-14-28-54-30-25-39-49-43(54)20-12-21-44(49)58-45-26-31-55-42-19-9-11-23-47(42)60-51(55)50(39)45;1-45(2,25-10-14-31-29-30-13-5-7-17-35(30)50-42(31)47)27-12-28-46(3,4)26-11-22-43-23-20-32-39-34(43)16-9-19-37(39)48-38-21-24-44-33-15-6-8-18-36(33)49-41(44)40(32)38;;;;;;;;;;;/h9-10,14-17,19-24,30-31,40-41,53-54H,1-8,11-13,18,25-29,32-39H2;9-10,13-17,20-24,30,34-36,47H,5-8,11-12,18-19,25-29,31-33H2,1-4H3;6-12,16-25,29-30,36,45H,13-15,26-28,31-35H2,1-5H3;5-9,13,15-20,23,29,38H,10-12,14,21-22,24-28H2,1-4H3;11*1H/q+1;;+4;+3;;;;;;;;;;;/p-5.

What are the key properties of N-[2-[2-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]ethoxy]ethyl]-6-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)hexanamide;6-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-N-[3-[2-[2-[10-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-5-oxodecoxy]ethoxy]ethoxy]propyl]hexanamide;3-[dimethyl-[3-[4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]azanium;3-[dimethyl-[3-(2-oxochromen-3-yl)propyl]azaniumyl]propyl-[3-(4,15-dioxa-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]-dimethylazanium;octaiodide;trihydroiodide?

N-[2-[2-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]ethoxy]ethyl]-6-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)hexanamide;6-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-N-[3-[2-[2-[10-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-5-oxodecoxy]ethoxy]ethoxy]propyl]hexanamide;3-[dimethyl-[3-[4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]azanium;3-[dimethyl-[3-(2-oxochromen-3-yl)propyl]azaniumyl]propyl-[3-(4,15-dioxa-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]-dimethylazanium;octaiodide;trihydroiodide has a molecular weight of 4945.56 g/mol, XLogP of 15.25, 72 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]ethoxy]ethyl]-6-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)hexanamide;6-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-N-[3-[2-[2-[10-(8-chloro-15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5(10),6,8,16,18,20,22-nonaen-21-yl)-5-oxodecoxy]ethoxy]ethoxy]propyl]hexanamide;3-[dimethyl-[3-[4-[(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-(15-oxa-4-thia-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]azanium;3-[dimethyl-[3-(2-oxochromen-3-yl)propyl]azaniumyl]propyl-[3-(4,15-dioxa-11-aza-21-azoniahexacyclo[14.7.1.02,14.03,11.05,10.020,24]tetracosa-1(24),2,5,7,9,16,18,20,22-nonaen-21-yl)propyl]-dimethylazanium;octaiodide;trihydroiodide is sourced from PubChem (CID 158371614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).