2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-[2-[2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol;N-methyl-N-[2-[2-[N-methyl-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]anilino]ethyldisulfanyl]ethyl]-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]aniline;(4-pyrrolidin-1-ylnaphthalen-1-yl)-[1-[2-[2-[4-[(4-pyrrolidin-1-ylnaphthalen-1-yl)diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazene

C224H244N52O12S10+10 — CID 159181624

About 2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-[2-[2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol;N-methyl-N-[2-[2-[N-methyl-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]anilino]ethyldisulfanyl]ethyl]-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]aniline;(4-pyrrolidin-1-ylnaphthalen-1-yl)-[1-[2-[2-[4-[(4-pyrrolidin-1-ylnaphthalen-1-yl)diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazene

2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-[2-[2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol;N-methyl-N-[2-[2-[N-methyl-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]anilino]ethyldisulfanyl]ethyl]-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]aniline;(4-pyrrolidin-1-ylnaphthalen-1-yl)-[1-[2-[2-[4-[(4-pyrrolidin-1-ylnaphthalen-1-yl)diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazene (PubChem CID 159181624) has the molecular formula C224H244N52O12S10+10 and a molecular weight of 4177.44 g/mol. Its IUPAC name is 2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-[2-[2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol;N-methyl-N-[2-[2-[N-methyl-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]anilino]ethyldisulfanyl]ethyl]-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]aniline;(4-pyrrolidin-1-ylnaphthalen-1-yl)-[1-[2-[2-[4-[(4-pyrrolidin-1-ylnaphthalen-1-yl)diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazene.

Molecular Properties

• Compound Name: 2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-[2-[2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol;N-methyl-N-[2-[2-[N-methyl-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]anilino]ethyldisulfanyl]ethyl]-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]aniline;(4-pyrrolidin-1-ylnaphthalen-1-yl)-[1-[2-[2-[4-[(4-pyrrolidin-1-ylnaphthalen-1-yl)diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazene
• PubChem CID: 159181624
• Molecular Formula: C224H244N52O12S10+10
• Molecular Weight: 4177.44 g/mol
• Exact Mass: 4173.72
• IUPAC Name: 2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-[2-[2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol;N-methyl-N-[2-[2-[N-methyl-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]anilino]ethyldisulfanyl]ethyl]-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]aniline;(4-pyrrolidin-1-ylnaphthalen-1-yl)-[1-[2-[2-[4-[(4-pyrrolidin-1-ylnaphthalen-1-yl)diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazene
• SMILES: CC[n+]1ccc(/N=N/c2ccc(Nc3nc(NCCO)nc(NCCSSCCNc4nc(NCCO)nc(Nc5ccc(/N=N/c6cc[n+](CC)c7ccccc67)cc5)n4)n3)cc2)c2ccccc21.CN(CCSSCCN(C)c1ccc(/N=N/c2cccc3c2ccc[n+]3C)cc1)c1ccc(/N=N/c2cccc3c2ccc[n+]3C)cc1.O=C(C[n+]1cccc2c(/N=N/c3ccc(N(CCO)CCO)cc3)cccc21)NCCSSCCNC(=O)C[n+]1cccc2c(/N=N/c3ccc(N(CCO)CCO)cc3)cccc21.OCCN(CCO)c1ccc(/N=N/c2cccc3c2ccc[n+]3CCSSCC[n+]2cccc3c(/N=N/c4ccc(N(CCO)CCO)cc4)cccc32)cc1.c1ccc2c(N3CCCC3)ccc(/N=N/c3cc[n+](CCSSCC[n+]4ccc(/N=N/c5ccc(N6CCCC6)c6ccccc56)c5ccccc54)c4ccccc34)c2c1
• InChI: InChI=1S/C50H48N8S2.C48H52N18O2S2.C46H52N10O6S2.C42H48N8O4S2.C38H40N8S2/c1-3-15-39-37(13-1)43(21-23-49(39)55-27-9-10-28-55)51-53-45-25-31-57(47-19-7-5-17-41(45)47)33-35-59-60-36-34-58-32-26-46(42-18-6-8-20-48(42)58)54-52-44-22-24-50(56-29-11-12-30-56)40-16-4-2-14-38(40)44;1-3-65-27-21-39(37-9-5-7-11-41(37)65)63-61-35-17-13-33(14-18-35)53-47-57-43(49-23-29-67)55-45(59-47)51-25-31-69-70-32-26-52-46-56-44(50-24-30-68)58-48(60-46)54-34-15-19-36(20-16-34)62-64-40-22-28-66(4-2)42-12-8-6-10-38(40)42;57-27-23-53(24-28-58)37-15-11-35(12-16-37)49-51-41-7-1-9-43-39(41)5-3-21-55(43)33-45(61)47-19-31-63-64-32-20-48-46(62)34-56-22-4-6-40-42(8-2-10-44(40)56)52-50-36-13-17-38(18-14-36)54(25-29-59)26-30-60;51-27-21-47(22-28-52)35-15-11-33(12-16-35)43-45-39-7-1-9-41-37(39)5-3-19-49(41)25-31-55-56-32-26-50-20-4-6-38-40(8-2-10-42(38)50)46-44-34-13-17-36(18-14-34)48(23-29-53)24-30-54;1-43(31-19-15-29(16-20-31)39-41-35-11-5-13-37-33(35)9-7-23-45(37)3)25-27-47-48-28-26-44(2)32-21-17-30(18-22-32)40-42-36-12-6-14-38-34(36)10-8-24-46(38)4/h1-8,13-26,31-32H,9-12,27-30,33-36H2;5-22,27-28,67-68H,3-4,23-26,29-32H2,1-2H3,(H4,49,50,51,52,55,56,57,58,59,60);1-18,21-22,57-60H,19-20,23-34H2;1-20,51-54H,21-32H2;5-24H,25-28H2,1-4H3/q+2;;;2*+2/p+4
• InChIKey: KMYSAGDTKSPPEX-UHFFFAOYSA-R
• XLogP: 43.78
• TPSA: 721.94 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 62
• Rotatable Bonds: 97
• Heavy Atoms: 298
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4177.44
LogP ≤ 5	43.78
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	62

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-[2-[2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol;N-methyl-N-[2-[2-[N-methyl-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]anilino]ethyldisulfanyl]ethyl]-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]aniline;(4-pyrrolidin-1-ylnaphthalen-1-yl)-[1-[2-[2-[4-[(4-pyrrolidin-1-ylnaphthalen-1-yl)diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazene?

The IUPAC name of 2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-[2-[2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol;N-methyl-N-[2-[2-[N-methyl-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]anilino]ethyldisulfanyl]ethyl]-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]aniline;(4-pyrrolidin-1-ylnaphthalen-1-yl)-[1-[2-[2-[4-[(4-pyrrolidin-1-ylnaphthalen-1-yl)diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazene (CID 159181624) is 2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-[2-[2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol;N-methyl-N-[2-[2-[N-methyl-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]anilino]ethyldisulfanyl]ethyl]-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]aniline;(4-pyrrolidin-1-ylnaphthalen-1-yl)-[1-[2-[2-[4-[(4-pyrrolidin-1-ylnaphthalen-1-yl)diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazene.

What is the SMILES notation for 2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-[2-[2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol;N-methyl-N-[2-[2-[N-methyl-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]anilino]ethyldisulfanyl]ethyl]-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]aniline;(4-pyrrolidin-1-ylnaphthalen-1-yl)-[1-[2-[2-[4-[(4-pyrrolidin-1-ylnaphthalen-1-yl)diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazene?

The canonical SMILES for 2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-[2-[2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol;N-methyl-N-[2-[2-[N-methyl-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]anilino]ethyldisulfanyl]ethyl]-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]aniline;(4-pyrrolidin-1-ylnaphthalen-1-yl)-[1-[2-[2-[4-[(4-pyrrolidin-1-ylnaphthalen-1-yl)diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazene is CC[n+]1ccc(/N=N/c2ccc(Nc3nc(NCCO)nc(NCCSSCCNc4nc(NCCO)nc(Nc5ccc(/N=N/c6cc[n+](CC)c7ccccc67)cc5)n4)n3)cc2)c2ccccc21.CN(CCSSCCN(C)c1ccc(/N=N/c2cccc3c2ccc[n+]3C)cc1)c1ccc(/N=N/c2cccc3c2ccc[n+]3C)cc1.O=C(C[n+]1cccc2c(/N=N/c3ccc(N(CCO)CCO)cc3)cccc21)NCCSSCCNC(=O)C[n+]1cccc2c(/N=N/c3ccc(N(CCO)CCO)cc3)cccc21.OCCN(CCO)c1ccc(/N=N/c2cccc3c2ccc[n+]3CCSSCC[n+]2cccc3c(/N=N/c4ccc(N(CCO)CCO)cc4)cccc32)cc1.c1ccc2c(N3CCCC3)ccc(/N=N/c3cc[n+](CCSSCC[n+]4ccc(/N=N/c5ccc(N6CCCC6)c6ccccc56)c5ccccc54)c4ccccc34)c2c1.

What is the InChIKey of 2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-[2-[2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol;N-methyl-N-[2-[2-[N-methyl-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]anilino]ethyldisulfanyl]ethyl]-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]aniline;(4-pyrrolidin-1-ylnaphthalen-1-yl)-[1-[2-[2-[4-[(4-pyrrolidin-1-ylnaphthalen-1-yl)diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazene?

The InChIKey is KMYSAGDTKSPPEX-UHFFFAOYSA-R. The full InChI is InChI=1S/C50H48N8S2.C48H52N18O2S2.C46H52N10O6S2.C42H48N8O4S2.C38H40N8S2/c1-3-15-39-37(13-1)43(21-23-49(39)55-27-9-10-28-55)51-53-45-25-31-57(47-19-7-5-17-41(45)47)33-35-59-60-36-34-58-32-26-46(42-18-6-8-20-48(42)58)54-52-44-22-24-50(56-29-11-12-30-56)40-16-4-2-14-38(40)44;1-3-65-27-21-39(37-9-5-7-11-41(37)65)63-61-35-17-13-33(14-18-35)53-47-57-43(49-23-29-67)55-45(59-47)51-25-31-69-70-32-26-52-46-56-44(50-24-30-68)58-48(60-46)54-34-15-19-36(20-16-34)62-64-40-22-28-66(4-2)42-12-8-6-10-38(40)42;57-27-23-53(24-28-58)37-15-11-35(12-16-37)49-51-41-7-1-9-43-39(41)5-3-21-55(43)33-45(61)47-19-31-63-64-32-20-48-46(62)34-56-22-4-6-40-42(8-2-10-44(40)56)52-50-36-13-17-38(18-14-36)54(25-29-59)26-30-60;51-27-21-47(22-28-52)35-15-11-33(12-16-35)43-45-39-7-1-9-41-37(39)5-3-19-49(41)25-31-55-56-32-26-50-20-4-6-38-40(8-2-10-42(38)50)46-44-34-13-17-36(18-14-34)48(23-29-53)24-30-54;1-43(31-19-15-29(16-20-31)39-41-35-11-5-13-37-33(35)9-7-23-45(37)3)25-27-47-48-28-26-44(2)32-21-17-30(18-22-32)40-42-36-12-6-14-38-34(36)10-8-24-46(38)4/h1-8,13-26,31-32H,9-12,27-30,33-36H2;5-22,27-28,67-68H,3-4,23-26,29-32H2,1-2H3,(H4,49,50,51,52,55,56,57,58,59,60);1-18,21-22,57-60H,19-20,23-34H2;1-20,51-54H,21-32H2;5-24H,25-28H2,1-4H3/q+2;;;2*+2/p+4.

What are the key properties of 2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-[2-[2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol;N-methyl-N-[2-[2-[N-methyl-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]anilino]ethyldisulfanyl]ethyl]-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]aniline;(4-pyrrolidin-1-ylnaphthalen-1-yl)-[1-[2-[2-[4-[(4-pyrrolidin-1-ylnaphthalen-1-yl)diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazene?

2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-[2-[2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol;N-methyl-N-[2-[2-[N-methyl-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]anilino]ethyldisulfanyl]ethyl]-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]aniline;(4-pyrrolidin-1-ylnaphthalen-1-yl)-[1-[2-[2-[4-[(4-pyrrolidin-1-ylnaphthalen-1-yl)diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazene has a molecular weight of 4177.44 g/mol, XLogP of 43.78, 97 rotatable bonds, 18 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-[2-[2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol;N-methyl-N-[2-[2-[N-methyl-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]anilino]ethyldisulfanyl]ethyl]-4-[(1-methylquinolin-1-ium-5-yl)diazenyl]aniline;(4-pyrrolidin-1-ylnaphthalen-1-yl)-[1-[2-[2-[4-[(4-pyrrolidin-1-ylnaphthalen-1-yl)diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazene is sourced from PubChem (CID 159181624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).