2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;1-[4-[[1-[4-[4-[4-[[4-[bis(2-hydroxypropyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]butyldisulfanyl]butyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxypropyl)anilino]propan-2-ol;4-[[1-[2-[2-[5-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N,N-dimethylaniline;4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline

C214H246N42O10S10+10 — CID 158963851

IUPAC2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;1-[4-[[1-[4-[4-[4-[[4-[bis(2-hydroxypropyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]butyldisulfanyl]butyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxypropyl)anilino]propan-2-ol;4-[[1-[2-[2-[5-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N,N-dimethylaniline;4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline
SMILESCC(O)CN(CC(C)O)c1ccc(/N=N/c2cc[n+](CCCCSSCCCC[n+]3ccc(/N=N/c4ccc(N(CC(C)O)CC(C)O)cc4)c4ccccc43)c3ccccc23)cc1.CC[n+]1ccc(/N=N/c2ccc(N(C)CCSSCCN(C)c3ccc(/N=N/c4cc[n+](CC)c5ccccc45)cc3)cc2)c2ccccc21.CN(C)c1ccc(/N=N/c2cccc3c2ccc[n+]3CCSSCC[n+]2cccc3c(/N=N/c4ccc(N(C)C)cc4)cccc32)cc1.Cc1cc(/N=N/c2ccc(N(C)CCSSCCN(C)c3ccc(/N=N/c4cc(C)[n+](C)c5ccccc45)cc3)cc2)c2ccccc2[n+]1C.O=C(C[n+]1c(/N=N/c2ccc(N(CCO)CCO)cc2)ccc2ccccc21)NCCSSCCNC(=O)C[n+]1c(/N=N/c2ccc(N(CCO)CCO)cc2)ccc2ccccc21
InChIInChI=1S/C50H64N8O4S2.C46H52N10O6S2.2C40H44N8S2.C38H40N8S2/c1-37(59)33-57(34-38(2)60)43-21-17-41(18-22-43)51-53-47-25-29-55(49-15-7-5-13-45(47)49)27-9-11-31-63-64-32-12-10-28-56-30-26-48(46-14-6-8-16-50(46)56)54-52-42-19-23-44(24-20-42)58(35-39(3)61)36-40(4)62;57-27-23-53(24-28-58)39-15-11-37(12-16-39)49-51-43-19-9-35-5-1-3-7-41(35)55(43)33-45(61)47-21-31-63-64-32-22-48-46(62)34-56-42-8-4-2-6-36(42)10-20-44(56)52-50-38-13-17-40(18-14-38)54(25-29-59)26-30-60;1-29-27-37(35-11-7-9-13-39(35)47(29)5)43-41-31-15-19-33(20-16-31)45(3)23-25-49-50-26-24-46(4)34-21-17-32(18-22-34)42-44-38-28-30(2)48(6)40-14-10-8-12-36(38)40;1-5-47-25-23-37(35-11-7-9-13-39(35)47)43-41-31-15-19-33(20-16-31)45(3)27-29-49-50-30-28-46(4)34-21-17-32(18-22-34)42-44-38-24-26-48(6-2)40-14-10-8-12-36(38)40;1-43(2)31-19-15-29(16-20-31)39-41-35-11-5-13-37-33(35)9-7-23-45(37)25-27-47-48-28-26-46-24-8-10-34-36(12-6-14-38(34)46)42-40-30-17-21-32(22-18-30)44(3)4/h5-8,13-26,29-30,37-40,59-62H,9-12,27-28,31-36H2,1-4H3;1-20,57-60H,21-34H2;7-22,27-28H,23-26H2,1-6H3;7-26H,5-6,27-30H2,1-4H3;5-24H,25-28H2,1-4H3/q+2;;3*+2/p+2
InChIKeyJMYJQFMRVIVMFQ-UHFFFAOYSA-P
MW3887.28 g/mol
LogP45.52
Rot. Bonds91

About 2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;1-[4-[[1-[4-[4-[4-[[4-[bis(2-hydroxypropyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]butyldisulfanyl]butyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxypropyl)anilino]propan-2-ol;4-[[1-[2-[2-[5-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N,N-dimethylaniline;4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline

2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;1-[4-[[1-[4-[4-[4-[[4-[bis(2-hydroxypropyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]butyldisulfanyl]butyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxypropyl)anilino]propan-2-ol;4-[[1-[2-[2-[5-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N,N-dimethylaniline;4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline (PubChem CID 158963851) has the molecular formula C214H246N42O10S10+10 and a molecular weight of 3887.28 g/mol. Its IUPAC name is 2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;1-[4-[[1-[4-[4-[4-[[4-[bis(2-hydroxypropyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]butyldisulfanyl]butyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxypropyl)anilino]propan-2-ol;4-[[1-[2-[2-[5-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N,N-dimethylaniline;4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline.

Molecular Properties

Compound Name2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;1-[4-[[1-[4-[4-[4-[[4-[bis(2-hydroxypropyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]butyldisulfanyl]butyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxypropyl)anilino]propan-2-ol;4-[[1-[2-[2-[5-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N,N-dimethylaniline;4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline
PubChem CID158963851
Molecular FormulaC214H246N42O10S10+10
Molecular Weight3887.28 g/mol
Exact Mass3883.72
IUPAC Name2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;1-[4-[[1-[4-[4-[4-[[4-[bis(2-hydroxypropyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]butyldisulfanyl]butyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxypropyl)anilino]propan-2-ol;4-[[1-[2-[2-[5-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N,N-dimethylaniline;4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline
SMILESCC(O)CN(CC(C)O)c1ccc(/N=N/c2cc[n+](CCCCSSCCCC[n+]3ccc(/N=N/c4ccc(N(CC(C)O)CC(C)O)cc4)c4ccccc43)c3ccccc23)cc1.CC[n+]1ccc(/N=N/c2ccc(N(C)CCSSCCN(C)c3ccc(/N=N/c4cc[n+](CC)c5ccccc45)cc3)cc2)c2ccccc21.CN(C)c1ccc(/N=N/c2cccc3c2ccc[n+]3CCSSCC[n+]2cccc3c(/N=N/c4ccc(N(C)C)cc4)cccc32)cc1.Cc1cc(/N=N/c2ccc(N(C)CCSSCCN(C)c3ccc(/N=N/c4cc(C)[n+](C)c5ccccc45)cc3)cc2)c2ccccc2[n+]1C.O=C(C[n+]1c(/N=N/c2ccc(N(CCO)CCO)cc2)ccc2ccccc21)NCCSSCCNC(=O)C[n+]1c(/N=N/c2ccc(N(CCO)CCO)cc2)ccc2ccccc21
InChIInChI=1S/C50H64N8O4S2.C46H52N10O6S2.2C40H44N8S2.C38H40N8S2/c1-37(59)33-57(34-38(2)60)43-21-17-41(18-22-43)51-53-47-25-29-55(49-15-7-5-13-45(47)49)27-9-11-31-63-64-32-12-10-28-56-30-26-48(46-14-6-8-16-50(46)56)54-52-42-19-23-44(24-20-42)58(35-39(3)61)36-40(4)62;57-27-23-53(24-28-58)39-15-11-37(12-16-39)49-51-43-19-9-35-5-1-3-7-41(35)55(43)33-45(61)47-21-31-63-64-32-22-48-46(62)34-56-42-8-4-2-6-36(42)10-20-44(56)52-50-38-13-17-40(18-14-38)54(25-29-59)26-30-60;1-29-27-37(35-11-7-9-13-39(35)47(29)5)43-41-31-15-19-33(20-16-31)45(3)23-25-49-50-26-24-46(4)34-21-17-32(18-22-34)42-44-38-28-30(2)48(6)40-14-10-8-12-36(38)40;1-5-47-25-23-37(35-11-7-9-13-39(35)47)43-41-31-15-19-33(20-16-31)45(3)27-29-49-50-30-28-46(4)34-21-17-32(18-22-34)42-44-38-24-26-48(6-2)40-14-10-8-12-36(38)40;1-43(2)31-19-15-29(16-20-31)39-41-35-11-5-13-37-33(35)9-7-23-45(37)25-27-47-48-28-26-46-24-8-10-34-36(12-6-14-38(34)46)42-40-30-17-21-32(22-18-30)44(3)4/h5-8,13-26,29-30,37-40,59-62H,9-12,27-28,31-36H2,1-4H3;1-20,57-60H,21-34H2;7-22,27-28H,23-26H2,1-6H3;7-26H,5-6,27-30H2,1-4H3;5-24H,25-28H2,1-4H3/q+2;;3*+2/p+2
InChIKeyJMYJQFMRVIVMFQ-UHFFFAOYSA-P
XLogP45.52
TPSA538.44 Ų
H-Bond Donors10
H-Bond Acceptors50
Rotatable Bonds91
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003887.28
LogP ≤ 545.52
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1050

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'}

Analyze 2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;1-[4-[[1-[4-[4-[4-[[4-[bis(2-hydroxypropyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]butyldisulfanyl]butyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxypropyl)anilino]propan-2-ol;4-[[1-[2-[2-[5-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N,N-dimethylaniline;4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline with MolForge

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Related Compounds

2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide
CID 59538289
2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide
CID 59538301
2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide
CID 59538307
2-[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide
CID 59538317
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
CID 59538321
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
CID 59538326
2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[[5-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-4-oxopentyl]disulfanyl]ethyl]acetamide
CID 59538332
1-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-5-sulfanylpentan-2-one;1-[N-(2-hydroxypropyl)-4-[[1-(4-sulfanylbutyl)quinolin-1-ium-4-yl]diazenyl]anilino]propan-2-ol
CID 123420935
[2-[(1E)-1-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]buta-1,3-dienyl]phenyl]-[2-[2-[2-[[2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethylamino]-2-oxoethyl]azanium
CID 143776302
[2-[(1E)-1-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]buta-1,3-dienyl]phenyl]-[2-[2-[2-[[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethylamino]-2-oxoethyl]azanium
CID 143776309
[3-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-2-[(1Z)-buta-1,3-dienyl]phenyl]-[2-[2-[2-[[2-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethylamino]-2-oxoethyl]azanium
CID 143776315
ethyl-[2-[(1E)-1-[[4-[[4-[2-[2-[[4-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethylamino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]buta-1,3-dienyl]phenyl]azanium
CID 143776334

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;1-[4-[[1-[4-[4-[4-[[4-[bis(2-hydroxypropyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]butyldisulfanyl]butyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxypropyl)anilino]propan-2-ol;4-[[1-[2-[2-[5-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N,N-dimethylaniline;4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline?
The IUPAC name of 2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;1-[4-[[1-[4-[4-[4-[[4-[bis(2-hydroxypropyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]butyldisulfanyl]butyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxypropyl)anilino]propan-2-ol;4-[[1-[2-[2-[5-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N,N-dimethylaniline;4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline (CID 158963851) is 2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;1-[4-[[1-[4-[4-[4-[[4-[bis(2-hydroxypropyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]butyldisulfanyl]butyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxypropyl)anilino]propan-2-ol;4-[[1-[2-[2-[5-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N,N-dimethylaniline;4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline.
What is the SMILES notation for 2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;1-[4-[[1-[4-[4-[4-[[4-[bis(2-hydroxypropyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]butyldisulfanyl]butyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxypropyl)anilino]propan-2-ol;4-[[1-[2-[2-[5-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N,N-dimethylaniline;4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline?
The canonical SMILES for 2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;1-[4-[[1-[4-[4-[4-[[4-[bis(2-hydroxypropyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]butyldisulfanyl]butyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxypropyl)anilino]propan-2-ol;4-[[1-[2-[2-[5-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N,N-dimethylaniline;4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline is CC(O)CN(CC(C)O)c1ccc(/N=N/c2cc[n+](CCCCSSCCCC[n+]3ccc(/N=N/c4ccc(N(CC(C)O)CC(C)O)cc4)c4ccccc43)c3ccccc23)cc1.CC[n+]1ccc(/N=N/c2ccc(N(C)CCSSCCN(C)c3ccc(/N=N/c4cc[n+](CC)c5ccccc45)cc3)cc2)c2ccccc21.CN(C)c1ccc(/N=N/c2cccc3c2ccc[n+]3CCSSCC[n+]2cccc3c(/N=N/c4ccc(N(C)C)cc4)cccc32)cc1.Cc1cc(/N=N/c2ccc(N(C)CCSSCCN(C)c3ccc(/N=N/c4cc(C)[n+](C)c5ccccc45)cc3)cc2)c2ccccc2[n+]1C.O=C(C[n+]1c(/N=N/c2ccc(N(CCO)CCO)cc2)ccc2ccccc21)NCCSSCCNC(=O)C[n+]1c(/N=N/c2ccc(N(CCO)CCO)cc2)ccc2ccccc21.
What is the InChIKey of 2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;1-[4-[[1-[4-[4-[4-[[4-[bis(2-hydroxypropyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]butyldisulfanyl]butyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxypropyl)anilino]propan-2-ol;4-[[1-[2-[2-[5-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N,N-dimethylaniline;4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline?
The InChIKey is JMYJQFMRVIVMFQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C50H64N8O4S2.C46H52N10O6S2.2C40H44N8S2.C38H40N8S2/c1-37(59)33-57(34-38(2)60)43-21-17-41(18-22-43)51-53-47-25-29-55(49-15-7-5-13-45(47)49)27-9-11-31-63-64-32-12-10-28-56-30-26-48(46-14-6-8-16-50(46)56)54-52-42-19-23-44(24-20-42)58(35-39(3)61)36-40(4)62;57-27-23-53(24-28-58)39-15-11-37(12-16-39)49-51-43-19-9-35-5-1-3-7-41(35)55(43)33-45(61)47-21-31-63-64-32-22-48-46(62)34-56-42-8-4-2-6-36(42)10-20-44(56)52-50-38-13-17-40(18-14-38)54(25-29-59)26-30-60;1-29-27-37(35-11-7-9-13-39(35)47(29)5)43-41-31-15-19-33(20-16-31)45(3)23-25-49-50-26-24-46(4)34-21-17-32(18-22-34)42-44-38-28-30(2)48(6)40-14-10-8-12-36(38)40;1-5-47-25-23-37(35-11-7-9-13-39(35)47)43-41-31-15-19-33(20-16-31)45(3)27-29-49-50-30-28-46(4)34-21-17-32(18-22-34)42-44-38-24-26-48(6-2)40-14-10-8-12-36(38)40;1-43(2)31-19-15-29(16-20-31)39-41-35-11-5-13-37-33(35)9-7-23-45(37)25-27-47-48-28-26-46-24-8-10-34-36(12-6-14-38(34)46)42-40-30-17-21-32(22-18-30)44(3)4/h5-8,13-26,29-30,37-40,59-62H,9-12,27-28,31-36H2,1-4H3;1-20,57-60H,21-34H2;7-22,27-28H,23-26H2,1-6H3;7-26H,5-6,27-30H2,1-4H3;5-24H,25-28H2,1-4H3/q+2;;3*+2/p+2.
What are the key properties of 2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;1-[4-[[1-[4-[4-[4-[[4-[bis(2-hydroxypropyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]butyldisulfanyl]butyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxypropyl)anilino]propan-2-ol;4-[[1-[2-[2-[5-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N,N-dimethylaniline;4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline?
2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;1-[4-[[1-[4-[4-[4-[[4-[bis(2-hydroxypropyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]butyldisulfanyl]butyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxypropyl)anilino]propan-2-ol;4-[[1-[2-[2-[5-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N,N-dimethylaniline;4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline has a molecular weight of 3887.28 g/mol, XLogP of 45.52, 91 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;1-[4-[[1-[4-[4-[4-[[4-[bis(2-hydroxypropyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]butyldisulfanyl]butyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxypropyl)anilino]propan-2-ol;4-[[1-[2-[2-[5-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-5-yl]diazenyl]-N,N-dimethylaniline;4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1,2-dimethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline;4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-[2-[2-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]-N-methylanilino]ethyldisulfanyl]ethyl]-N-methylaniline is sourced from PubChem (CID 158963851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).