4-[[4-amino-6-[4-[[4-amino-6-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2,5-bis[[4-[[7-[[3,4-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2,5-bis[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]carbamoyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2-[[8-[[4-[3-carboxy-4-[[4-[[7-[[2-carboxy-5-(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-methyl-6-sulfonaphthalen-2-yl]diazenyl]-4-(hydroperoxymethyl)benzoic acid

C334H325N97O111S12 — CID 160558220

IUPAC4-[[4-amino-6-[4-[[4-amino-6-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2,5-bis[[4-[[7-[[3,4-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2,5-bis[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]carbamoyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2-[[8-[[4-[3-carboxy-4-[[4-[[7-[[2-carboxy-5-(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-methyl-6-sulfonaphthalen-2-yl]diazenyl]-4-(hydroperoxymethyl)benzoic acid
SMILESCCCCNc1nc(Nc2ccc(Nc3nc(NCCCC)nc(Nc4cc(S(=O)(=O)O)cc5cc(C)c(/N=N/c6cc(COO)cc(COO)c6)c(O)c45)n3)cc2)nc(Nc2cc(S(=O)(=O)O)cc3cc(C)c(/N=N/c4cc(COO)cc(COO)c4)c(O)c23)n1.Cc1cc2cc(S(=O)(=O)O)cc(Nc3nc(N)nc(Nc4ccc(Nc5nc(N)nc(Nc6cc(S(=O)(=O)O)cc7cc(C)c(/N=N/c8cc(COO)cc(COO)c8)c(O)c67)n5)cc4)n3)c2c(O)c1/N=N/c1cc(COO)cc(COO)c1.Cc1cc2cc(S(=O)(=O)O)cc(Nc3nc(NCCO)nc(Nc4ccc(NC(=O)c5ccc(Nc6nc(NCCO)nc(Nc7cc(S(=O)(=O)O)cc8cc(C)c(/N=N/c9cc(COO)cc(COO)c9)c(O)c78)n6)cc5)cc4)n3)c2c(O)c1/N=N/c1cc(COO)cc(COO)c1.Cc1cc2cc(S(=O)(=O)O)cc(Nc3nc(NCCO)nc(Nc4ccc(Nc5nc(NCCO)nc(Nc6cc(S(=O)(=O)O)cc7cc(C)c(/N=N/c8cc(COO)cc(COO)c8)c(O)c67)n5)c(C(=O)O)c4)n3)c2c(O)c1/N=N/c1cc(COO)cc(COO)c1.Cc1cc2cc(S(=O)(=O)O)cc(Nc3nc(NCCO)nc(Nc4ccc(Nc5nc(NCCO)nc(Nc6cc(S(=O)(=O)O)cc7cc(C)c(/N=N/c8cc(COO)ccc8C(=O)O)c(O)c67)n5)c(C(=O)O)c4)n3)c2c(O)c1/N=N/c1cc(COO)ccc1C(=O)O.Cc1cc2cc(S(=O)(=O)O)cc(Nc3nc(NCCO)nc(Nc4ccc(Nc5nc(NCCO)nc(Nc6cc(S(=O)(=O)O)cc7cc(C)c(/N=N/c8ccc(COO)c(COO)c8)c(O)c67)n5)c(C(=O)O)c4)n3)c2c(O)c1/N=N/c1ccc(COO)c(COO)c1
InChIInChI=1S/C61H59N17O19S2.C58H62N16O16S2.C55H50N16O20S2.2C55H54N16O20S2.C50H46N16O16S2/c1-31-15-38-23-45(98(88,89)90)25-47(49(38)53(81)51(31)77-75-43-19-33(27-94-84)17-34(20-43)28-95-85)67-60-71-56(62-11-13-79)69-58(73-60)65-41-5-3-37(4-6-41)55(83)64-40-7-9-42(10-8-40)66-59-70-57(63-12-14-80)72-61(74-59)68-48-26-46(99(91,92)93)24-39-16-32(2)52(54(82)50(39)48)78-76-44-21-35(29-96-86)18-36(22-44)30-97-87;1-5-7-13-59-53-65-55(69-57(67-53)63-45-25-43(91(81,82)83)23-37-15-31(3)49(51(75)47(37)45)73-71-41-19-33(27-87-77)17-34(20-41)28-88-78)61-39-9-11-40(12-10-39)62-56-66-54(60-14-8-6-2)68-58(70-56)64-46-26-44(92(84,85)86)24-38-16-32(4)50(52(76)48(38)46)74-72-42-21-35(29-89-79)18-36(22-42)30-90-80;1-24-13-28-17-31(92(84,85)86)20-39(41(28)45(74)43(24)70-68-37-15-26(22-90-82)3-6-33(37)47(76)77)60-54-64-50(56-9-11-72)62-52(66-54)58-30-5-8-36(35(19-30)49(80)81)59-53-63-51(57-10-12-73)65-55(67-53)61-40-21-32(93(87,88)89)18-29-14-25(2)44(46(75)42(29)40)71-69-38-16-27(23-91-83)4-7-34(38)48(78)79;1-26-13-30-17-37(92(82,83)84)20-41(43(30)47(74)45(26)70-68-35-5-3-28(22-88-78)32(15-35)24-90-80)60-54-64-50(56-9-11-72)62-52(66-54)58-34-7-8-40(39(19-34)49(76)77)59-53-63-51(57-10-12-73)65-55(67-53)61-42-21-38(93(85,86)87)18-31-14-27(2)46(48(75)44(31)42)71-69-36-6-4-29(23-89-79)33(16-36)25-91-81;1-26-9-32-17-37(92(82,83)84)20-41(43(32)47(74)45(26)70-68-35-13-28(22-88-78)11-29(14-35)23-89-79)60-54-64-50(56-5-7-72)62-52(66-54)58-34-3-4-40(39(19-34)49(76)77)59-53-63-51(57-6-8-73)65-55(67-53)61-42-21-38(93(85,86)87)18-33-10-27(2)46(48(75)44(33)42)71-69-36-15-30(24-90-80)12-31(16-36)25-91-81;1-23-7-29-15-35(83(73,74)75)17-37(39(29)43(67)41(23)65-63-33-11-25(19-79-69)9-26(12-33)20-80-70)55-49-59-45(51)57-47(61-49)53-31-3-5-32(6-4-31)54-48-58-46(52)60-50(62-48)56-38-18-36(84(76,77)78)16-30-8-24(2)42(44(68)40(30)38)66-64-34-13-27(21-81-71)10-28(14-34)22-82-72/h3-10,15-26,79-82,84-87H,11-14,27-30H2,1-2H3,(H,64,83)(H,88,89,90)(H,91,92,93)(H3,62,65,67,69,71,73)(H3,63,66,68,70,72,74);9-12,15-26,75-80H,5-8,13-14,27-30H2,1-4H3,(H,81,82,83)(H,84,85,86)(H3,59,61,63,65,67,69)(H3,60,62,64,66,68,70);3-8,13-21,72-75,82-83H,9-12,22-23H2,1-2H3,(H,76,77)(H,78,79)(H,80,81)(H,84,85,86)(H,87,88,89)(H3,56,58,60,62,64,66)(H3,57,59,61,63,65,67);3-8,13-21,72-75,78-81H,9-12,22-25H2,1-2H3,(H,76,77)(H,82,83,84)(H,85,86,87)(H3,56,58,60,62,64,66)(H3,57,59,61,63,65,67);3-4,9-21,72-75,78-81H,5-8,22-25H2,1-2H3,(H,76,77)(H,82,83,84)(H,85,86,87)(H3,56,58,60,62,64,66)(H3,57,59,61,63,65,67);3-18,67-72H,19-22H2,1-2H3,(H,73,74,75)(H,76,77,78)(H4,51,53,55,57,59,61)(H4,52,54,56,58,60,62)/b77-75+,78-76+;73-71+,74-72+;3*70-68+,71-69+;65-63+,66-64+
InChIKeyQYYVDTFUBGRADH-PJYNQGIJSA-N
MW7858.65 g/mol
LogP60.47
Rot. Bonds167

About 4-[[4-amino-6-[4-[[4-amino-6-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2,5-bis[[4-[[7-[[3,4-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2,5-bis[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]carbamoyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2-[[8-[[4-[3-carboxy-4-[[4-[[7-[[2-carboxy-5-(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-methyl-6-sulfonaphthalen-2-yl]diazenyl]-4-(hydroperoxymethyl)benzoic acid

4-[[4-amino-6-[4-[[4-amino-6-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2,5-bis[[4-[[7-[[3,4-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2,5-bis[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]carbamoyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2-[[8-[[4-[3-carboxy-4-[[4-[[7-[[2-carboxy-5-(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-methyl-6-sulfonaphthalen-2-yl]diazenyl]-4-(hydroperoxymethyl)benzoic acid (PubChem CID 160558220) has the molecular formula C334H325N97O111S12 and a molecular weight of 7858.65 g/mol. Its IUPAC name is 4-[[4-amino-6-[4-[[4-amino-6-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2,5-bis[[4-[[7-[[3,4-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2,5-bis[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]carbamoyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2-[[8-[[4-[3-carboxy-4-[[4-[[7-[[2-carboxy-5-(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-methyl-6-sulfonaphthalen-2-yl]diazenyl]-4-(hydroperoxymethyl)benzoic acid.

Molecular Properties

Compound Name4-[[4-amino-6-[4-[[4-amino-6-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2,5-bis[[4-[[7-[[3,4-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2,5-bis[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]carbamoyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2-[[8-[[4-[3-carboxy-4-[[4-[[7-[[2-carboxy-5-(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-methyl-6-sulfonaphthalen-2-yl]diazenyl]-4-(hydroperoxymethyl)benzoic acid
PubChem CID160558220
Molecular FormulaC334H325N97O111S12
Molecular Weight7858.65 g/mol
Exact Mass7852.94
IUPAC Name4-[[4-amino-6-[4-[[4-amino-6-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2,5-bis[[4-[[7-[[3,4-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2,5-bis[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]carbamoyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2-[[8-[[4-[3-carboxy-4-[[4-[[7-[[2-carboxy-5-(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-methyl-6-sulfonaphthalen-2-yl]diazenyl]-4-(hydroperoxymethyl)benzoic acid
SMILESCCCCNc1nc(Nc2ccc(Nc3nc(NCCCC)nc(Nc4cc(S(=O)(=O)O)cc5cc(C)c(/N=N/c6cc(COO)cc(COO)c6)c(O)c45)n3)cc2)nc(Nc2cc(S(=O)(=O)O)cc3cc(C)c(/N=N/c4cc(COO)cc(COO)c4)c(O)c23)n1.Cc1cc2cc(S(=O)(=O)O)cc(Nc3nc(N)nc(Nc4ccc(Nc5nc(N)nc(Nc6cc(S(=O)(=O)O)cc7cc(C)c(/N=N/c8cc(COO)cc(COO)c8)c(O)c67)n5)cc4)n3)c2c(O)c1/N=N/c1cc(COO)cc(COO)c1.Cc1cc2cc(S(=O)(=O)O)cc(Nc3nc(NCCO)nc(Nc4ccc(NC(=O)c5ccc(Nc6nc(NCCO)nc(Nc7cc(S(=O)(=O)O)cc8cc(C)c(/N=N/c9cc(COO)cc(COO)c9)c(O)c78)n6)cc5)cc4)n3)c2c(O)c1/N=N/c1cc(COO)cc(COO)c1.Cc1cc2cc(S(=O)(=O)O)cc(Nc3nc(NCCO)nc(Nc4ccc(Nc5nc(NCCO)nc(Nc6cc(S(=O)(=O)O)cc7cc(C)c(/N=N/c8cc(COO)cc(COO)c8)c(O)c67)n5)c(C(=O)O)c4)n3)c2c(O)c1/N=N/c1cc(COO)cc(COO)c1.Cc1cc2cc(S(=O)(=O)O)cc(Nc3nc(NCCO)nc(Nc4ccc(Nc5nc(NCCO)nc(Nc6cc(S(=O)(=O)O)cc7cc(C)c(/N=N/c8cc(COO)ccc8C(=O)O)c(O)c67)n5)c(C(=O)O)c4)n3)c2c(O)c1/N=N/c1cc(COO)ccc1C(=O)O.Cc1cc2cc(S(=O)(=O)O)cc(Nc3nc(NCCO)nc(Nc4ccc(Nc5nc(NCCO)nc(Nc6cc(S(=O)(=O)O)cc7cc(C)c(/N=N/c8ccc(COO)c(COO)c8)c(O)c67)n5)c(C(=O)O)c4)n3)c2c(O)c1/N=N/c1ccc(COO)c(COO)c1
InChIInChI=1S/C61H59N17O19S2.C58H62N16O16S2.C55H50N16O20S2.2C55H54N16O20S2.C50H46N16O16S2/c1-31-15-38-23-45(98(88,89)90)25-47(49(38)53(81)51(31)77-75-43-19-33(27-94-84)17-34(20-43)28-95-85)67-60-71-56(62-11-13-79)69-58(73-60)65-41-5-3-37(4-6-41)55(83)64-40-7-9-42(10-8-40)66-59-70-57(63-12-14-80)72-61(74-59)68-48-26-46(99(91,92)93)24-39-16-32(2)52(54(82)50(39)48)78-76-44-21-35(29-96-86)18-36(22-44)30-97-87;1-5-7-13-59-53-65-55(69-57(67-53)63-45-25-43(91(81,82)83)23-37-15-31(3)49(51(75)47(37)45)73-71-41-19-33(27-87-77)17-34(20-41)28-88-78)61-39-9-11-40(12-10-39)62-56-66-54(60-14-8-6-2)68-58(70-56)64-46-26-44(92(84,85)86)24-38-16-32(4)50(52(76)48(38)46)74-72-42-21-35(29-89-79)18-36(22-42)30-90-80;1-24-13-28-17-31(92(84,85)86)20-39(41(28)45(74)43(24)70-68-37-15-26(22-90-82)3-6-33(37)47(76)77)60-54-64-50(56-9-11-72)62-52(66-54)58-30-5-8-36(35(19-30)49(80)81)59-53-63-51(57-10-12-73)65-55(67-53)61-40-21-32(93(87,88)89)18-29-14-25(2)44(46(75)42(29)40)71-69-38-16-27(23-91-83)4-7-34(38)48(78)79;1-26-13-30-17-37(92(82,83)84)20-41(43(30)47(74)45(26)70-68-35-5-3-28(22-88-78)32(15-35)24-90-80)60-54-64-50(56-9-11-72)62-52(66-54)58-34-7-8-40(39(19-34)49(76)77)59-53-63-51(57-10-12-73)65-55(67-53)61-42-21-38(93(85,86)87)18-31-14-27(2)46(48(75)44(31)42)71-69-36-6-4-29(23-89-79)33(16-36)25-91-81;1-26-9-32-17-37(92(82,83)84)20-41(43(32)47(74)45(26)70-68-35-13-28(22-88-78)11-29(14-35)23-89-79)60-54-64-50(56-5-7-72)62-52(66-54)58-34-3-4-40(39(19-34)49(76)77)59-53-63-51(57-6-8-73)65-55(67-53)61-42-21-38(93(85,86)87)18-33-10-27(2)46(48(75)44(33)42)71-69-36-15-30(24-90-80)12-31(16-36)25-91-81;1-23-7-29-15-35(83(73,74)75)17-37(39(29)43(67)41(23)65-63-33-11-25(19-79-69)9-26(12-33)20-80-70)55-49-59-45(51)57-47(61-49)53-31-3-5-32(6-4-31)54-48-58-46(52)60-50(62-48)56-38-18-36(84(76,77)78)16-30-8-24(2)42(44(68)40(30)38)66-64-34-13-27(21-81-71)10-28(14-34)22-82-72/h3-10,15-26,79-82,84-87H,11-14,27-30H2,1-2H3,(H,64,83)(H,88,89,90)(H,91,92,93)(H3,62,65,67,69,71,73)(H3,63,66,68,70,72,74);9-12,15-26,75-80H,5-8,13-14,27-30H2,1-4H3,(H,81,82,83)(H,84,85,86)(H3,59,61,63,65,67,69)(H3,60,62,64,66,68,70);3-8,13-21,72-75,82-83H,9-12,22-23H2,1-2H3,(H,76,77)(H,78,79)(H,80,81)(H,84,85,86)(H,87,88,89)(H3,56,58,60,62,64,66)(H3,57,59,61,63,65,67);3-8,13-21,72-75,78-81H,9-12,22-25H2,1-2H3,(H,76,77)(H,82,83,84)(H,85,86,87)(H3,56,58,60,62,64,66)(H3,57,59,61,63,65,67);3-4,9-21,72-75,78-81H,5-8,22-25H2,1-2H3,(H,76,77)(H,82,83,84)(H,85,86,87)(H3,56,58,60,62,64,66)(H3,57,59,61,63,65,67);3-18,67-72H,19-22H2,1-2H3,(H,73,74,75)(H,76,77,78)(H4,51,53,55,57,59,61)(H4,52,54,56,58,60,62)/b77-75+,78-76+;73-71+,74-72+;3*70-68+,71-69+;65-63+,66-64+
InChIKeyQYYVDTFUBGRADH-PJYNQGIJSA-N
XLogP60.47
TPSA3142.50 Ų
H-Bond Donors96
H-Bond Acceptors190
Rotatable Bonds167
Heavy Atoms554
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007858.65
LogP ≤ 560.47
H-Bond Donors ≤ 596
H-Bond Acceptors ≤ 10190

Analyze 4-[[4-amino-6-[4-[[4-amino-6-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2,5-bis[[4-[[7-[[3,4-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2,5-bis[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]carbamoyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2-[[8-[[4-[3-carboxy-4-[[4-[[7-[[2-carboxy-5-(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-methyl-6-sulfonaphthalen-2-yl]diazenyl]-4-(hydroperoxymethyl)benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-6-[4-[[4-amino-6-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2,5-bis[[4-[[7-[[3,4-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2,5-bis[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]carbamoyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2-[[8-[[4-[3-carboxy-4-[[4-[[7-[[2-carboxy-5-(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-methyl-6-sulfonaphthalen-2-yl]diazenyl]-4-(hydroperoxymethyl)benzoic acid?
The IUPAC name of 4-[[4-amino-6-[4-[[4-amino-6-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2,5-bis[[4-[[7-[[3,4-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2,5-bis[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]carbamoyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2-[[8-[[4-[3-carboxy-4-[[4-[[7-[[2-carboxy-5-(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-methyl-6-sulfonaphthalen-2-yl]diazenyl]-4-(hydroperoxymethyl)benzoic acid (CID 160558220) is 4-[[4-amino-6-[4-[[4-amino-6-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2,5-bis[[4-[[7-[[3,4-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2,5-bis[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]carbamoyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2-[[8-[[4-[3-carboxy-4-[[4-[[7-[[2-carboxy-5-(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-methyl-6-sulfonaphthalen-2-yl]diazenyl]-4-(hydroperoxymethyl)benzoic acid.
What is the SMILES notation for 4-[[4-amino-6-[4-[[4-amino-6-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2,5-bis[[4-[[7-[[3,4-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2,5-bis[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]carbamoyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2-[[8-[[4-[3-carboxy-4-[[4-[[7-[[2-carboxy-5-(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-methyl-6-sulfonaphthalen-2-yl]diazenyl]-4-(hydroperoxymethyl)benzoic acid?
The canonical SMILES for 4-[[4-amino-6-[4-[[4-amino-6-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2,5-bis[[4-[[7-[[3,4-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2,5-bis[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]carbamoyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2-[[8-[[4-[3-carboxy-4-[[4-[[7-[[2-carboxy-5-(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-methyl-6-sulfonaphthalen-2-yl]diazenyl]-4-(hydroperoxymethyl)benzoic acid is CCCCNc1nc(Nc2ccc(Nc3nc(NCCCC)nc(Nc4cc(S(=O)(=O)O)cc5cc(C)c(/N=N/c6cc(COO)cc(COO)c6)c(O)c45)n3)cc2)nc(Nc2cc(S(=O)(=O)O)cc3cc(C)c(/N=N/c4cc(COO)cc(COO)c4)c(O)c23)n1.Cc1cc2cc(S(=O)(=O)O)cc(Nc3nc(N)nc(Nc4ccc(Nc5nc(N)nc(Nc6cc(S(=O)(=O)O)cc7cc(C)c(/N=N/c8cc(COO)cc(COO)c8)c(O)c67)n5)cc4)n3)c2c(O)c1/N=N/c1cc(COO)cc(COO)c1.Cc1cc2cc(S(=O)(=O)O)cc(Nc3nc(NCCO)nc(Nc4ccc(NC(=O)c5ccc(Nc6nc(NCCO)nc(Nc7cc(S(=O)(=O)O)cc8cc(C)c(/N=N/c9cc(COO)cc(COO)c9)c(O)c78)n6)cc5)cc4)n3)c2c(O)c1/N=N/c1cc(COO)cc(COO)c1.Cc1cc2cc(S(=O)(=O)O)cc(Nc3nc(NCCO)nc(Nc4ccc(Nc5nc(NCCO)nc(Nc6cc(S(=O)(=O)O)cc7cc(C)c(/N=N/c8cc(COO)cc(COO)c8)c(O)c67)n5)c(C(=O)O)c4)n3)c2c(O)c1/N=N/c1cc(COO)cc(COO)c1.Cc1cc2cc(S(=O)(=O)O)cc(Nc3nc(NCCO)nc(Nc4ccc(Nc5nc(NCCO)nc(Nc6cc(S(=O)(=O)O)cc7cc(C)c(/N=N/c8cc(COO)ccc8C(=O)O)c(O)c67)n5)c(C(=O)O)c4)n3)c2c(O)c1/N=N/c1cc(COO)ccc1C(=O)O.Cc1cc2cc(S(=O)(=O)O)cc(Nc3nc(NCCO)nc(Nc4ccc(Nc5nc(NCCO)nc(Nc6cc(S(=O)(=O)O)cc7cc(C)c(/N=N/c8ccc(COO)c(COO)c8)c(O)c67)n5)c(C(=O)O)c4)n3)c2c(O)c1/N=N/c1ccc(COO)c(COO)c1.
What is the InChIKey of 4-[[4-amino-6-[4-[[4-amino-6-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2,5-bis[[4-[[7-[[3,4-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2,5-bis[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]carbamoyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2-[[8-[[4-[3-carboxy-4-[[4-[[7-[[2-carboxy-5-(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-methyl-6-sulfonaphthalen-2-yl]diazenyl]-4-(hydroperoxymethyl)benzoic acid?
The InChIKey is QYYVDTFUBGRADH-PJYNQGIJSA-N. The full InChI is InChI=1S/C61H59N17O19S2.C58H62N16O16S2.C55H50N16O20S2.2C55H54N16O20S2.C50H46N16O16S2/c1-31-15-38-23-45(98(88,89)90)25-47(49(38)53(81)51(31)77-75-43-19-33(27-94-84)17-34(20-43)28-95-85)67-60-71-56(62-11-13-79)69-58(73-60)65-41-5-3-37(4-6-41)55(83)64-40-7-9-42(10-8-40)66-59-70-57(63-12-14-80)72-61(74-59)68-48-26-46(99(91,92)93)24-39-16-32(2)52(54(82)50(39)48)78-76-44-21-35(29-96-86)18-36(22-44)30-97-87;1-5-7-13-59-53-65-55(69-57(67-53)63-45-25-43(91(81,82)83)23-37-15-31(3)49(51(75)47(37)45)73-71-41-19-33(27-87-77)17-34(20-41)28-88-78)61-39-9-11-40(12-10-39)62-56-66-54(60-14-8-6-2)68-58(70-56)64-46-26-44(92(84,85)86)24-38-16-32(4)50(52(76)48(38)46)74-72-42-21-35(29-89-79)18-36(22-42)30-90-80;1-24-13-28-17-31(92(84,85)86)20-39(41(28)45(74)43(24)70-68-37-15-26(22-90-82)3-6-33(37)47(76)77)60-54-64-50(56-9-11-72)62-52(66-54)58-30-5-8-36(35(19-30)49(80)81)59-53-63-51(57-10-12-73)65-55(67-53)61-40-21-32(93(87,88)89)18-29-14-25(2)44(46(75)42(29)40)71-69-38-16-27(23-91-83)4-7-34(38)48(78)79;1-26-13-30-17-37(92(82,83)84)20-41(43(30)47(74)45(26)70-68-35-5-3-28(22-88-78)32(15-35)24-90-80)60-54-64-50(56-9-11-72)62-52(66-54)58-34-7-8-40(39(19-34)49(76)77)59-53-63-51(57-10-12-73)65-55(67-53)61-42-21-38(93(85,86)87)18-31-14-27(2)46(48(75)44(31)42)71-69-36-6-4-29(23-89-79)33(16-36)25-91-81;1-26-9-32-17-37(92(82,83)84)20-41(43(32)47(74)45(26)70-68-35-13-28(22-88-78)11-29(14-35)23-89-79)60-54-64-50(56-5-7-72)62-52(66-54)58-34-3-4-40(39(19-34)49(76)77)59-53-63-51(57-6-8-73)65-55(67-53)61-42-21-38(93(85,86)87)18-33-10-27(2)46(48(75)44(33)42)71-69-36-15-30(24-90-80)12-31(16-36)25-91-81;1-23-7-29-15-35(83(73,74)75)17-37(39(29)43(67)41(23)65-63-33-11-25(19-79-69)9-26(12-33)20-80-70)55-49-59-45(51)57-47(61-49)53-31-3-5-32(6-4-31)54-48-58-46(52)60-50(62-48)56-38-18-36(84(76,77)78)16-30-8-24(2)42(44(68)40(30)38)66-64-34-13-27(21-81-71)10-28(14-34)22-82-72/h3-10,15-26,79-82,84-87H,11-14,27-30H2,1-2H3,(H,64,83)(H,88,89,90)(H,91,92,93)(H3,62,65,67,69,71,73)(H3,63,66,68,70,72,74);9-12,15-26,75-80H,5-8,13-14,27-30H2,1-4H3,(H,81,82,83)(H,84,85,86)(H3,59,61,63,65,67,69)(H3,60,62,64,66,68,70);3-8,13-21,72-75,82-83H,9-12,22-23H2,1-2H3,(H,76,77)(H,78,79)(H,80,81)(H,84,85,86)(H,87,88,89)(H3,56,58,60,62,64,66)(H3,57,59,61,63,65,67);3-8,13-21,72-75,78-81H,9-12,22-25H2,1-2H3,(H,76,77)(H,82,83,84)(H,85,86,87)(H3,56,58,60,62,64,66)(H3,57,59,61,63,65,67);3-4,9-21,72-75,78-81H,5-8,22-25H2,1-2H3,(H,76,77)(H,82,83,84)(H,85,86,87)(H3,56,58,60,62,64,66)(H3,57,59,61,63,65,67);3-18,67-72H,19-22H2,1-2H3,(H,73,74,75)(H,76,77,78)(H4,51,53,55,57,59,61)(H4,52,54,56,58,60,62)/b77-75+,78-76+;73-71+,74-72+;3*70-68+,71-69+;65-63+,66-64+.
What are the key properties of 4-[[4-amino-6-[4-[[4-amino-6-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2,5-bis[[4-[[7-[[3,4-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2,5-bis[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]carbamoyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2-[[8-[[4-[3-carboxy-4-[[4-[[7-[[2-carboxy-5-(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-methyl-6-sulfonaphthalen-2-yl]diazenyl]-4-(hydroperoxymethyl)benzoic acid?
4-[[4-amino-6-[4-[[4-amino-6-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2,5-bis[[4-[[7-[[3,4-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2,5-bis[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]carbamoyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2-[[8-[[4-[3-carboxy-4-[[4-[[7-[[2-carboxy-5-(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-methyl-6-sulfonaphthalen-2-yl]diazenyl]-4-(hydroperoxymethyl)benzoic acid has a molecular weight of 7858.65 g/mol, XLogP of 60.47, 167 rotatable bonds, 96 hydrogen bond donors, and 190 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-6-[4-[[4-amino-6-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2,5-bis[[4-[[7-[[3,4-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;2,5-bis[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;6-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-4-[[4-[4-[[4-[[4-[[7-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]phenyl]carbamoyl]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-7-methylnaphthalene-2-sulfonic acid;2-[[8-[[4-[3-carboxy-4-[[4-[[7-[[2-carboxy-5-(hydroperoxymethyl)phenyl]diazenyl]-8-hydroxy-6-methyl-3-sulfonaphthalen-1-yl]amino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]anilino]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-methyl-6-sulfonaphthalen-2-yl]diazenyl]-4-(hydroperoxymethyl)benzoic acid is sourced from PubChem (CID 160558220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).