2-[[5-(2-hydroxyethoxy)-4-[[4-[2-[[4-[2-(2-hydroxyethoxy)-5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethylamino]-6-[[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methyl-5-propoxyphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;tetradecakis(sulfur trioxide)

C284H268N78O99S28 — CID 162134075

IUPAC2-[[5-(2-hydroxyethoxy)-4-[[4-[2-[[4-[2-(2-hydroxyethoxy)-5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethylamino]-6-[[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methyl-5-propoxyphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;tetradecakis(sulfur trioxide)
SMILESCCCOc1cc(/N=N/c2ccc(/N=N/c3ccccc3)cc2S(=O)(=O)O)c(C)cc1Cc1nc(Cc2cc(C)c(/N=N/c3ccc(/N=N/c4ccc(S(=O)(=O)O)cc4)cc3)cc2OCCCS(=O)(=O)O)nc(NCCN(CCO)c2nc(Nc3cc(C)c(/N=N/c4ccc(/N=N/c5ccccc5)cc4S(=O)(=O)O)cc3OCCC)nc(Nc3cc(C)c(/N=N/c4ccc(/N=N/c5ccc(S(=O)(=O)O)cc5)cc4)cc3OCCCS(=O)(=O)O)n2)n1.Cc1cc(Cc2nc(Cc3cc(C)c(/N=N/c4ccc(/N=N/c5ccccc5)cc4S(=O)(=O)O)cc3OCCO)nc(NCCN(CCO)c3nc(Nc4cc(C)c(/N=N/c5ccc(/N=N/c6ccc(S(=O)(=O)O)cc6)cc5)cc4OCCO)nc(Nc4cc(C)c(/N=N/c5ccc(/N=N/c6ccccc6)cc5S(=O)(=O)O)cc4OCCO)n3)n2)c(OCCO)cc1/N=N/c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1.Cc1cc(Cc2nc(Cc3ccc(/N=N/c4ccc(/N=N/c5ccccc5)cc4S(=O)(=O)O)c(C)c3)nc(NCCN(CCO)c3nc(Nc4ccc(/N=N/c5ccc(/N=N/c6ccc(S(=O)(=O)O)cc6)cc5)c(C)c4)nc(Nc4ccc(/N=N/c5ccc(/N=N/c6ccccc6)cc5S(=O)(=O)O)c(C)c4)n3)n2)ccc1/N=N/c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C100H100N26O23S6.C96H92N26O21S4.C88H76N26O13S4.14O3S/c1-7-45-146-89-60-84(124-120-81-39-33-77(57-93(81)154(140,141)142)118-110-69-17-11-9-12-18-69)64(4)52-67(89)55-95-104-96(56-68-51-63(3)83(59-90(68)148-47-15-49-150(128,129)130)122-116-73-25-21-71(22-26-73)112-114-75-29-35-79(36-30-75)152(134,135)136)106-97(105-95)101-41-42-126(43-44-127)100-108-98(102-87-54-66(6)86(62-91(87)147-46-8-2)125-121-82-40-34-78(58-94(82)155(143,144)145)119-111-70-19-13-10-14-20-70)107-99(109-100)103-88-53-65(5)85(61-92(88)149-48-16-50-151(131,132)133)123-117-74-27-23-72(24-28-74)113-115-76-31-37-80(38-32-76)153(137,138)139;1-59-47-63(85(140-43-39-124)55-79(59)118-112-69-19-15-67(16-20-69)108-110-71-23-29-75(30-24-71)144(128,129)130)51-91-100-92(52-64-48-60(2)80(56-86(64)141-44-40-125)120-116-77-33-27-73(53-89(77)146(134,135)136)114-106-65-11-7-5-8-12-65)102-93(101-91)97-35-36-122(37-38-123)96-104-94(98-83-49-61(3)81(57-87(83)142-45-41-126)119-113-70-21-17-68(18-22-70)109-111-72-25-31-76(32-26-72)145(131,132)133)103-95(105-96)99-84-50-62(4)82(58-88(84)143-46-42-127)121-117-78-34-28-74(54-90(78)147(137,138)139)115-107-66-13-9-6-10-14-66;1-55-47-59(15-37-75(55)108-104-65-21-17-63(18-22-65)100-102-67-25-33-73(34-26-67)128(116,117)118)51-83-92-84(52-60-16-38-76(56(2)48-60)110-112-79-41-31-71(53-81(79)130(122,123)124)106-98-61-11-7-5-8-12-61)94-85(93-83)89-43-44-114(45-46-115)88-96-86(90-69-29-39-77(57(3)49-69)109-105-66-23-19-64(20-24-66)101-103-68-27-35-74(36-28-68)129(119,120)121)95-87(97-88)91-70-30-40-78(58(4)50-70)111-113-80-42-32-72(54-82(80)131(125,126)127)107-99-62-13-9-6-10-14-62;14*1-4(2)3/h9-14,17-40,51-54,57-62,127H,7-8,15-16,41-50,55-56H2,1-6H3,(H,128,129,130)(H,131,132,133)(H,134,135,136)(H,137,138,139)(H,140,141,142)(H,143,144,145)(H,101,104,105,106)(H2,102,103,107,108,109);5-34,47-50,53-58,123-127H,35-46,51-52H2,1-4H3,(H,128,129,130)(H,131,132,133)(H,134,135,136)(H,137,138,139)(H,97,100,101,102)(H2,98,99,103,104,105);5-42,47-50,53-54,115H,43-46,51-52H2,1-4H3,(H,116,117,118)(H,119,120,121)(H,122,123,124)(H,125,126,127)(H,89,92,93,94)(H2,90,91,95,96,97);;;;;;;;;;;;;;/b114-112+,115-113+,118-110+,119-111+,122-116+,123-117+,124-120+,125-121+;110-108+,111-109+,114-106+,115-107+,118-112+,119-113+,120-116+,121-117+;102-100+,103-101+,106-98+,107-99+,108-104+,109-105+,112-110+,113-111+;;;;;;;;;;;;;;
InChIKeyZJAQGCJDDWFECQ-WEIGTDNLSA-N
MW7255.59 g/mol
LogP53.86
Rot. Bonds133

About 2-[[5-(2-hydroxyethoxy)-4-[[4-[2-[[4-[2-(2-hydroxyethoxy)-5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethylamino]-6-[[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methyl-5-propoxyphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;tetradecakis(sulfur trioxide)

2-[[5-(2-hydroxyethoxy)-4-[[4-[2-[[4-[2-(2-hydroxyethoxy)-5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethylamino]-6-[[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methyl-5-propoxyphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;tetradecakis(sulfur trioxide) (PubChem CID 162134075) has the molecular formula C284H268N78O99S28 and a molecular weight of 7255.59 g/mol. Its IUPAC name is 2-[[5-(2-hydroxyethoxy)-4-[[4-[2-[[4-[2-(2-hydroxyethoxy)-5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethylamino]-6-[[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methyl-5-propoxyphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;tetradecakis(sulfur trioxide).

Molecular Properties

Compound Name2-[[5-(2-hydroxyethoxy)-4-[[4-[2-[[4-[2-(2-hydroxyethoxy)-5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethylamino]-6-[[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methyl-5-propoxyphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;tetradecakis(sulfur trioxide)
PubChem CID162134075
Molecular FormulaC284H268N78O99S28
Molecular Weight7255.59 g/mol
Exact Mass7249.05
IUPAC Name2-[[5-(2-hydroxyethoxy)-4-[[4-[2-[[4-[2-(2-hydroxyethoxy)-5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethylamino]-6-[[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methyl-5-propoxyphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;tetradecakis(sulfur trioxide)
SMILESCCCOc1cc(/N=N/c2ccc(/N=N/c3ccccc3)cc2S(=O)(=O)O)c(C)cc1Cc1nc(Cc2cc(C)c(/N=N/c3ccc(/N=N/c4ccc(S(=O)(=O)O)cc4)cc3)cc2OCCCS(=O)(=O)O)nc(NCCN(CCO)c2nc(Nc3cc(C)c(/N=N/c4ccc(/N=N/c5ccccc5)cc4S(=O)(=O)O)cc3OCCC)nc(Nc3cc(C)c(/N=N/c4ccc(/N=N/c5ccc(S(=O)(=O)O)cc5)cc4)cc3OCCCS(=O)(=O)O)n2)n1.Cc1cc(Cc2nc(Cc3cc(C)c(/N=N/c4ccc(/N=N/c5ccccc5)cc4S(=O)(=O)O)cc3OCCO)nc(NCCN(CCO)c3nc(Nc4cc(C)c(/N=N/c5ccc(/N=N/c6ccc(S(=O)(=O)O)cc6)cc5)cc4OCCO)nc(Nc4cc(C)c(/N=N/c5ccc(/N=N/c6ccccc6)cc5S(=O)(=O)O)cc4OCCO)n3)n2)c(OCCO)cc1/N=N/c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1.Cc1cc(Cc2nc(Cc3ccc(/N=N/c4ccc(/N=N/c5ccccc5)cc4S(=O)(=O)O)c(C)c3)nc(NCCN(CCO)c3nc(Nc4ccc(/N=N/c5ccc(/N=N/c6ccc(S(=O)(=O)O)cc6)cc5)c(C)c4)nc(Nc4ccc(/N=N/c5ccc(/N=N/c6ccccc6)cc5S(=O)(=O)O)c(C)c4)n3)n2)ccc1/N=N/c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C100H100N26O23S6.C96H92N26O21S4.C88H76N26O13S4.14O3S/c1-7-45-146-89-60-84(124-120-81-39-33-77(57-93(81)154(140,141)142)118-110-69-17-11-9-12-18-69)64(4)52-67(89)55-95-104-96(56-68-51-63(3)83(59-90(68)148-47-15-49-150(128,129)130)122-116-73-25-21-71(22-26-73)112-114-75-29-35-79(36-30-75)152(134,135)136)106-97(105-95)101-41-42-126(43-44-127)100-108-98(102-87-54-66(6)86(62-91(87)147-46-8-2)125-121-82-40-34-78(58-94(82)155(143,144)145)119-111-70-19-13-10-14-20-70)107-99(109-100)103-88-53-65(5)85(61-92(88)149-48-16-50-151(131,132)133)123-117-74-27-23-72(24-28-74)113-115-76-31-37-80(38-32-76)153(137,138)139;1-59-47-63(85(140-43-39-124)55-79(59)118-112-69-19-15-67(16-20-69)108-110-71-23-29-75(30-24-71)144(128,129)130)51-91-100-92(52-64-48-60(2)80(56-86(64)141-44-40-125)120-116-77-33-27-73(53-89(77)146(134,135)136)114-106-65-11-7-5-8-12-65)102-93(101-91)97-35-36-122(37-38-123)96-104-94(98-83-49-61(3)81(57-87(83)142-45-41-126)119-113-70-21-17-68(18-22-70)109-111-72-25-31-76(32-26-72)145(131,132)133)103-95(105-96)99-84-50-62(4)82(58-88(84)143-46-42-127)121-117-78-34-28-74(54-90(78)147(137,138)139)115-107-66-13-9-6-10-14-66;1-55-47-59(15-37-75(55)108-104-65-21-17-63(18-22-65)100-102-67-25-33-73(34-26-67)128(116,117)118)51-83-92-84(52-60-16-38-76(56(2)48-60)110-112-79-41-31-71(53-81(79)130(122,123)124)106-98-61-11-7-5-8-12-61)94-85(93-83)89-43-44-114(45-46-115)88-96-86(90-69-29-39-77(57(3)49-69)109-105-66-23-19-64(20-24-66)101-103-68-27-35-74(36-28-68)129(119,120)121)95-87(97-88)91-70-30-40-78(58(4)50-70)111-113-80-42-32-72(54-82(80)131(125,126)127)107-99-62-13-9-6-10-14-62;14*1-4(2)3/h9-14,17-40,51-54,57-62,127H,7-8,15-16,41-50,55-56H2,1-6H3,(H,128,129,130)(H,131,132,133)(H,134,135,136)(H,137,138,139)(H,140,141,142)(H,143,144,145)(H,101,104,105,106)(H2,102,103,107,108,109);5-34,47-50,53-58,123-127H,35-46,51-52H2,1-4H3,(H,128,129,130)(H,131,132,133)(H,134,135,136)(H,137,138,139)(H,97,100,101,102)(H2,98,99,103,104,105);5-42,47-50,53-54,115H,43-46,51-52H2,1-4H3,(H,116,117,118)(H,119,120,121)(H,122,123,124)(H,125,126,127)(H,89,92,93,94)(H2,90,91,95,96,97);;;;;;;;;;;;;;/b114-112+,115-113+,118-110+,119-111+,122-116+,123-117+,124-120+,125-121+;110-108+,111-109+,114-106+,115-107+,118-112+,119-113+,120-116+,121-117+;102-100+,103-101+,106-98+,107-99+,108-104+,109-105+,112-110+,113-111+;;;;;;;;;;;;;;
InChIKeyZJAQGCJDDWFECQ-WEIGTDNLSA-N
XLogP53.86
TPSA2636.86 Ų
H-Bond Donors30
H-Bond Acceptors163
Rotatable Bonds133
Heavy Atoms489
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007255.59
LogP ≤ 553.86
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 10163

Analyze 2-[[5-(2-hydroxyethoxy)-4-[[4-[2-[[4-[2-(2-hydroxyethoxy)-5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethylamino]-6-[[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methyl-5-propoxyphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;tetradecakis(sulfur trioxide) with MolForge

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Related Compounds

2-[[2-methyl-4-[[4-[4-[[4-[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]butylamino]-6-[[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]phenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;pentakis(sulfur trioxide)
CID 158668464
2-[[2-methyl-4-[[4-[2-[[4-[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]phenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[2-methyl-4-[[4-[2-[[4-[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-5-propoxyphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[2-methyl-4-[[4-[2-[[4-[[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyphenyl]methyl]-6-[[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;hexadecakis(sulfur trioxide)
CID 160635540
2-[[4-[[4-[5-[[4-[5-chloro-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]pentylamino]-6-[[5-chloro-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;pentakis(sulfur trioxide)
CID 159146141
2-[[2-methyl-4-[[4-[4-[4-[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-[[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-5-propoxyphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid
CID 157076984
2-[[4-[[4-[5-chloro-2-(3-sulfopropoxy)-4-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-6-[5-[[4-[5-methyl-2-(3-sulfopropoxy)-4-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-6-[3-methyl-4-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]pentylamino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid
CID 118699783
2-[[2-methyl-4-[[4-[[4-[[4-[3-methyl-4-[[2-sulfino-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-6-[5-methyl-2-(3-sulfopropoxy)-4-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]phenyl]methylamino]-6-[5-methyl-2-(3-sulfopropoxy)-4-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid
CID 121346357
6-[[4-[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]-2-[[4-[[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]phenyl]methyl]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]amino]hexanoic acid
CID 158114019
2-[[4-[[4-[3,5-dimethyl-4-[4-[5-methyl-2-(3-sulfopropoxy)-4-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-6-[3-methyl-4-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-[5-methyl-2-(3-sulfopropoxy)-4-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid
CID 89348485
3-[[4-[[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]phenyl]methyl]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]amino]propanoic acid;bis(sulfur trioxide)
CID 159164977
2-[[4-[[4-[2,5-diethoxy-4-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-6-[3-[[4-[2,5-diethoxy-4-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-6-[3-methyl-4-[[2-sulfo-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]propylamino]-1,3,5-triazin-2-yl]amino]-2-methylphenyl]diazenyl]-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid
CID 89348644
3-[[4-[[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]phenyl]methyl]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]amino]propanoic acid
CID 159164978
5-[[2-chloro-4-[[4-[[5-chloro-4-[[4-(hydroxymethyl)phenyl]diazenyl]-2-propoxyphenyl]methyl]-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]methyl]-5-(3-sulfopropoxy)phenyl]diazenyl]-2-methoxybenzenesulfonic acid;bis(sulfur trioxide)
CID 157407259

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-hydroxyethoxy)-4-[[4-[2-[[4-[2-(2-hydroxyethoxy)-5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethylamino]-6-[[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methyl-5-propoxyphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;tetradecakis(sulfur trioxide)?
The IUPAC name of 2-[[5-(2-hydroxyethoxy)-4-[[4-[2-[[4-[2-(2-hydroxyethoxy)-5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethylamino]-6-[[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methyl-5-propoxyphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;tetradecakis(sulfur trioxide) (CID 162134075) is 2-[[5-(2-hydroxyethoxy)-4-[[4-[2-[[4-[2-(2-hydroxyethoxy)-5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethylamino]-6-[[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methyl-5-propoxyphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;tetradecakis(sulfur trioxide).
What is the SMILES notation for 2-[[5-(2-hydroxyethoxy)-4-[[4-[2-[[4-[2-(2-hydroxyethoxy)-5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethylamino]-6-[[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methyl-5-propoxyphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;tetradecakis(sulfur trioxide)?
The canonical SMILES for 2-[[5-(2-hydroxyethoxy)-4-[[4-[2-[[4-[2-(2-hydroxyethoxy)-5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethylamino]-6-[[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methyl-5-propoxyphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;tetradecakis(sulfur trioxide) is CCCOc1cc(/N=N/c2ccc(/N=N/c3ccccc3)cc2S(=O)(=O)O)c(C)cc1Cc1nc(Cc2cc(C)c(/N=N/c3ccc(/N=N/c4ccc(S(=O)(=O)O)cc4)cc3)cc2OCCCS(=O)(=O)O)nc(NCCN(CCO)c2nc(Nc3cc(C)c(/N=N/c4ccc(/N=N/c5ccccc5)cc4S(=O)(=O)O)cc3OCCC)nc(Nc3cc(C)c(/N=N/c4ccc(/N=N/c5ccc(S(=O)(=O)O)cc5)cc4)cc3OCCCS(=O)(=O)O)n2)n1.Cc1cc(Cc2nc(Cc3cc(C)c(/N=N/c4ccc(/N=N/c5ccccc5)cc4S(=O)(=O)O)cc3OCCO)nc(NCCN(CCO)c3nc(Nc4cc(C)c(/N=N/c5ccc(/N=N/c6ccc(S(=O)(=O)O)cc6)cc5)cc4OCCO)nc(Nc4cc(C)c(/N=N/c5ccc(/N=N/c6ccccc6)cc5S(=O)(=O)O)cc4OCCO)n3)n2)c(OCCO)cc1/N=N/c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1.Cc1cc(Cc2nc(Cc3ccc(/N=N/c4ccc(/N=N/c5ccccc5)cc4S(=O)(=O)O)c(C)c3)nc(NCCN(CCO)c3nc(Nc4ccc(/N=N/c5ccc(/N=N/c6ccc(S(=O)(=O)O)cc6)cc5)c(C)c4)nc(Nc4ccc(/N=N/c5ccc(/N=N/c6ccccc6)cc5S(=O)(=O)O)c(C)c4)n3)n2)ccc1/N=N/c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.
What is the InChIKey of 2-[[5-(2-hydroxyethoxy)-4-[[4-[2-[[4-[2-(2-hydroxyethoxy)-5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethylamino]-6-[[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methyl-5-propoxyphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;tetradecakis(sulfur trioxide)?
The InChIKey is ZJAQGCJDDWFECQ-WEIGTDNLSA-N. The full InChI is InChI=1S/C100H100N26O23S6.C96H92N26O21S4.C88H76N26O13S4.14O3S/c1-7-45-146-89-60-84(124-120-81-39-33-77(57-93(81)154(140,141)142)118-110-69-17-11-9-12-18-69)64(4)52-67(89)55-95-104-96(56-68-51-63(3)83(59-90(68)148-47-15-49-150(128,129)130)122-116-73-25-21-71(22-26-73)112-114-75-29-35-79(36-30-75)152(134,135)136)106-97(105-95)101-41-42-126(43-44-127)100-108-98(102-87-54-66(6)86(62-91(87)147-46-8-2)125-121-82-40-34-78(58-94(82)155(143,144)145)119-111-70-19-13-10-14-20-70)107-99(109-100)103-88-53-65(5)85(61-92(88)149-48-16-50-151(131,132)133)123-117-74-27-23-72(24-28-74)113-115-76-31-37-80(38-32-76)153(137,138)139;1-59-47-63(85(140-43-39-124)55-79(59)118-112-69-19-15-67(16-20-69)108-110-71-23-29-75(30-24-71)144(128,129)130)51-91-100-92(52-64-48-60(2)80(56-86(64)141-44-40-125)120-116-77-33-27-73(53-89(77)146(134,135)136)114-106-65-11-7-5-8-12-65)102-93(101-91)97-35-36-122(37-38-123)96-104-94(98-83-49-61(3)81(57-87(83)142-45-41-126)119-113-70-21-17-68(18-22-70)109-111-72-25-31-76(32-26-72)145(131,132)133)103-95(105-96)99-84-50-62(4)82(58-88(84)143-46-42-127)121-117-78-34-28-74(54-90(78)147(137,138)139)115-107-66-13-9-6-10-14-66;1-55-47-59(15-37-75(55)108-104-65-21-17-63(18-22-65)100-102-67-25-33-73(34-26-67)128(116,117)118)51-83-92-84(52-60-16-38-76(56(2)48-60)110-112-79-41-31-71(53-81(79)130(122,123)124)106-98-61-11-7-5-8-12-61)94-85(93-83)89-43-44-114(45-46-115)88-96-86(90-69-29-39-77(57(3)49-69)109-105-66-23-19-64(20-24-66)101-103-68-27-35-74(36-28-68)129(119,120)121)95-87(97-88)91-70-30-40-78(58(4)50-70)111-113-80-42-32-72(54-82(80)131(125,126)127)107-99-62-13-9-6-10-14-62;14*1-4(2)3/h9-14,17-40,51-54,57-62,127H,7-8,15-16,41-50,55-56H2,1-6H3,(H,128,129,130)(H,131,132,133)(H,134,135,136)(H,137,138,139)(H,140,141,142)(H,143,144,145)(H,101,104,105,106)(H2,102,103,107,108,109);5-34,47-50,53-58,123-127H,35-46,51-52H2,1-4H3,(H,128,129,130)(H,131,132,133)(H,134,135,136)(H,137,138,139)(H,97,100,101,102)(H2,98,99,103,104,105);5-42,47-50,53-54,115H,43-46,51-52H2,1-4H3,(H,116,117,118)(H,119,120,121)(H,122,123,124)(H,125,126,127)(H,89,92,93,94)(H2,90,91,95,96,97);;;;;;;;;;;;;;/b114-112+,115-113+,118-110+,119-111+,122-116+,123-117+,124-120+,125-121+;110-108+,111-109+,114-106+,115-107+,118-112+,119-113+,120-116+,121-117+;102-100+,103-101+,106-98+,107-99+,108-104+,109-105+,112-110+,113-111+;;;;;;;;;;;;;;.
What are the key properties of 2-[[5-(2-hydroxyethoxy)-4-[[4-[2-[[4-[2-(2-hydroxyethoxy)-5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethylamino]-6-[[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methyl-5-propoxyphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;tetradecakis(sulfur trioxide)?
2-[[5-(2-hydroxyethoxy)-4-[[4-[2-[[4-[2-(2-hydroxyethoxy)-5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethylamino]-6-[[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methyl-5-propoxyphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;tetradecakis(sulfur trioxide) has a molecular weight of 7255.59 g/mol, XLogP of 53.86, 133 rotatable bonds, 30 hydrogen bond donors, and 163 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-hydroxyethoxy)-4-[[4-[2-[[4-[2-(2-hydroxyethoxy)-5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]-(2-hydroxyethyl)amino]ethylamino]-6-[[2-(2-hydroxyethoxy)-5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[3-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]anilino]-6-[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[3-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;2-[[4-[[4-[2-[2-hydroxyethyl-[4-[5-methyl-4-[(4-phenyldiazenyl-2-sulfophenyl)diazenyl]-2-propoxyanilino]-6-[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)anilino]-1,3,5-triazin-2-yl]amino]ethylamino]-6-[[5-methyl-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2-(3-sulfopropoxy)phenyl]methyl]-1,3,5-triazin-2-yl]methyl]-2-methyl-5-propoxyphenyl]diazenyl]-5-phenyldiazenylbenzenesulfonic acid;tetradecakis(sulfur trioxide) is sourced from PubChem (CID 162134075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).