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)

C276H252N78O96S30 — CID 160635540

IUPAC2-[[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)
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(NCCNc2nc(Nc3ccc(/N=N/c4ccc(/N=N/c5ccc(S(=O)(=O)O)cc5)cc4)c(C)c3)nc(Nc3cc(C)c(/N=N/c4ccc(/N=N/c5ccccc5)cc4S(=O)(=O)O)cc3OCCC)n2)n1.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(NCCNc2nc(Nc3ccc(/N=N/c4ccc(/N=N/c5ccc(S(=O)(=O)O)cc5)cc4)c(C)c3)nc(Nc3ccc(/N=N/c4ccc(/N=N/c5ccccc5)cc4S(=O)(=O)O)c(C)c3)n2)n1.CCCOc1cc(/N=N/c2ccc(/N=N/c3ccccc3)cc2S(=O)(=O)O)c(C)cc1Nc1nc(NCCNc2nc(Cc3ccc(/N=N/c4ccc(/N=N/c5ccc(S(=O)(=O)O)cc5)cc4)c(C)c3)nc(Cc3ccc(/N=N/c4ccc(/N=N/c5ccccc5)cc4S(=O)(=O)O)c(C)c3)n2)nc(Nc2ccc(/N=N/c3ccc(/N=N/c4ccc(S(=O)(=O)O)cc4)cc3)c(C)c2)n1.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.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C95H90N26O18S5.C92H84N26O17S5.C89H78N26O13S4.16O3S/c1-7-44-137-85-57-82(120-117-79-40-33-74(54-88(79)143(131,132)133)114-106-65-16-11-9-12-17-65)60(4)49-63(85)52-90-100-91(53-64-48-59(3)81(56-86(64)139-46-15-47-140(122,123)124)119-113-70-26-22-68(23-27-70)109-111-72-30-37-77(38-31-72)142(128,129)130)102-92(101-90)96-42-43-97-93-103-94(98-73-32-39-78(61(5)50-73)116-112-69-24-20-67(21-25-69)108-110-71-28-35-76(36-29-71)141(125,126)127)105-95(104-93)99-84-51-62(6)83(58-87(84)138-45-8-2)121-118-80-41-34-75(55-89(80)144(134,135)136)115-107-66-18-13-10-14-19-66;1-6-44-134-83-56-82(118-116-80-41-33-74(54-86(80)140(131,132)133)112-104-64-16-11-8-12-17-64)58(3)48-61(83)51-87-97-88(52-62-47-57(2)81(55-84(62)135-45-13-46-136(119,120)121)117-110-68-24-20-66(21-25-68)106-108-70-28-36-76(37-29-70)138(125,126)127)99-89(98-87)93-42-43-94-90-100-91(95-71-30-38-77(59(4)49-71)113-109-67-22-18-65(19-23-67)105-107-69-26-34-75(35-27-69)137(122,123)124)102-92(101-90)96-72-31-39-78(60(5)50-72)114-115-79-40-32-73(53-85(79)139(128,129)130)111-103-63-14-9-7-10-15-63;1-6-45-128-81-54-79(115-114-78-42-33-71(53-83(78)132(125,126)127)109-101-62-15-11-8-12-16-62)58(5)49-80(81)93-89-98-87(97-88(99-89)92-69-31-40-76(57(4)48-69)111-107-66-25-21-64(22-26-66)103-105-68-29-36-73(37-30-68)130(119,120)121)91-44-43-90-86-95-84(50-59-17-38-74(55(2)46-59)110-106-65-23-19-63(20-24-65)102-104-67-27-34-72(35-28-67)129(116,117)118)94-85(96-86)51-60-18-39-75(56(3)47-60)112-113-77-41-32-70(52-82(77)131(122,123)124)108-100-61-13-9-7-10-14-61;16*1-4(2)3/h9-14,16-41,48-51,54-58H,7-8,15,42-47,52-53H2,1-6H3,(H,122,123,124)(H,125,126,127)(H,128,129,130)(H,131,132,133)(H,134,135,136)(H,96,100,101,102)(H3,97,98,99,103,104,105);7-12,14-41,47-50,53-56H,6,13,42-46,51-52H2,1-5H3,(H,119,120,121)(H,122,123,124)(H,125,126,127)(H,128,129,130)(H,131,132,133)(H,93,97,98,99)(H3,94,95,96,100,101,102);7-42,46-49,52-54H,6,43-45,50-51H2,1-5H3,(H,116,117,118)(H,119,120,121)(H,122,123,124)(H,125,126,127)(H,90,94,95,96)(H3,91,92,93,97,98,99);;;;;;;;;;;;;;;;/b110-108+,111-109+,114-106+,115-107+,116-112+,119-113+,120-117+,121-118+;107-105+,108-106+,111-103+,112-104+,113-109+,115-114+,117-110+,118-116+;104-102+,105-103+,108-100+,109-101+,110-106+,111-107+,113-112+,115-114+;;;;;;;;;;;;;;;;
InChIKeyRIMKXRPWWHWUHF-DRUZBAOMSA-N
MW7159.51 g/mol
LogP57.78
Rot. Bonds121

About 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)

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) (PubChem CID 160635540) has the molecular formula C276H252N78O96S30 and a molecular weight of 7159.51 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name2-[[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)
PubChem CID160635540
Molecular FormulaC276H252N78O96S30
Molecular Weight7159.51 g/mol
Exact Mass7152.89
IUPAC Name2-[[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)
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(NCCNc2nc(Nc3ccc(/N=N/c4ccc(/N=N/c5ccc(S(=O)(=O)O)cc5)cc4)c(C)c3)nc(Nc3cc(C)c(/N=N/c4ccc(/N=N/c5ccccc5)cc4S(=O)(=O)O)cc3OCCC)n2)n1.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(NCCNc2nc(Nc3ccc(/N=N/c4ccc(/N=N/c5ccc(S(=O)(=O)O)cc5)cc4)c(C)c3)nc(Nc3ccc(/N=N/c4ccc(/N=N/c5ccccc5)cc4S(=O)(=O)O)c(C)c3)n2)n1.CCCOc1cc(/N=N/c2ccc(/N=N/c3ccccc3)cc2S(=O)(=O)O)c(C)cc1Nc1nc(NCCNc2nc(Cc3ccc(/N=N/c4ccc(/N=N/c5ccc(S(=O)(=O)O)cc5)cc4)c(C)c3)nc(Cc3ccc(/N=N/c4ccc(/N=N/c5ccccc5)cc4S(=O)(=O)O)c(C)c3)n2)nc(Nc2ccc(/N=N/c3ccc(/N=N/c4ccc(S(=O)(=O)O)cc4)cc3)c(C)c2)n1.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.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C95H90N26O18S5.C92H84N26O17S5.C89H78N26O13S4.16O3S/c1-7-44-137-85-57-82(120-117-79-40-33-74(54-88(79)143(131,132)133)114-106-65-16-11-9-12-17-65)60(4)49-63(85)52-90-100-91(53-64-48-59(3)81(56-86(64)139-46-15-47-140(122,123)124)119-113-70-26-22-68(23-27-70)109-111-72-30-37-77(38-31-72)142(128,129)130)102-92(101-90)96-42-43-97-93-103-94(98-73-32-39-78(61(5)50-73)116-112-69-24-20-67(21-25-69)108-110-71-28-35-76(36-29-71)141(125,126)127)105-95(104-93)99-84-51-62(6)83(58-87(84)138-45-8-2)121-118-80-41-34-75(55-89(80)144(134,135)136)115-107-66-18-13-10-14-19-66;1-6-44-134-83-56-82(118-116-80-41-33-74(54-86(80)140(131,132)133)112-104-64-16-11-8-12-17-64)58(3)48-61(83)51-87-97-88(52-62-47-57(2)81(55-84(62)135-45-13-46-136(119,120)121)117-110-68-24-20-66(21-25-68)106-108-70-28-36-76(37-29-70)138(125,126)127)99-89(98-87)93-42-43-94-90-100-91(95-71-30-38-77(59(4)49-71)113-109-67-22-18-65(19-23-67)105-107-69-26-34-75(35-27-69)137(122,123)124)102-92(101-90)96-72-31-39-78(60(5)50-72)114-115-79-40-32-73(53-85(79)139(128,129)130)111-103-63-14-9-7-10-15-63;1-6-45-128-81-54-79(115-114-78-42-33-71(53-83(78)132(125,126)127)109-101-62-15-11-8-12-16-62)58(5)49-80(81)93-89-98-87(97-88(99-89)92-69-31-40-76(57(4)48-69)111-107-66-25-21-64(22-26-66)103-105-68-29-36-73(37-30-68)130(119,120)121)91-44-43-90-86-95-84(50-59-17-38-74(55(2)46-59)110-106-65-23-19-63(20-24-65)102-104-67-27-34-72(35-28-67)129(116,117)118)94-85(96-86)51-60-18-39-75(56(3)47-60)112-113-77-41-32-70(52-82(77)131(122,123)124)108-100-61-13-9-7-10-14-61;16*1-4(2)3/h9-14,16-41,48-51,54-58H,7-8,15,42-47,52-53H2,1-6H3,(H,122,123,124)(H,125,126,127)(H,128,129,130)(H,131,132,133)(H,134,135,136)(H,96,100,101,102)(H3,97,98,99,103,104,105);7-12,14-41,47-50,53-56H,6,13,42-46,51-52H2,1-5H3,(H,119,120,121)(H,122,123,124)(H,125,126,127)(H,128,129,130)(H,131,132,133)(H,93,97,98,99)(H3,94,95,96,100,101,102);7-42,46-49,52-54H,6,43-45,50-51H2,1-5H3,(H,116,117,118)(H,119,120,121)(H,122,123,124)(H,125,126,127)(H,90,94,95,96)(H3,91,92,93,97,98,99);;;;;;;;;;;;;;;;/b110-108+,111-109+,114-106+,115-107+,116-112+,119-113+,120-117+,121-118+;107-105+,108-106+,111-103+,112-104+,113-109+,115-114+,117-110+,118-116+;104-102+,105-103+,108-100+,109-101+,110-106+,111-107+,113-112+,115-114+;;;;;;;;;;;;;;;;
InChIKeyRIMKXRPWWHWUHF-DRUZBAOMSA-N
XLogP57.78
TPSA2605.58 Ų
H-Bond Donors26
H-Bond Acceptors160
Rotatable Bonds121
Heavy Atoms480
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007159.51
LogP ≤ 557.78
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 10160

Analyze 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) 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-[[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-[[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
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
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
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
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-[[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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) 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(NCCNc2nc(Nc3ccc(/N=N/c4ccc(/N=N/c5ccc(S(=O)(=O)O)cc5)cc4)c(C)c3)nc(Nc3cc(C)c(/N=N/c4ccc(/N=N/c5ccccc5)cc4S(=O)(=O)O)cc3OCCC)n2)n1.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(NCCNc2nc(Nc3ccc(/N=N/c4ccc(/N=N/c5ccc(S(=O)(=O)O)cc5)cc4)c(C)c3)nc(Nc3ccc(/N=N/c4ccc(/N=N/c5ccccc5)cc4S(=O)(=O)O)c(C)c3)n2)n1.CCCOc1cc(/N=N/c2ccc(/N=N/c3ccccc3)cc2S(=O)(=O)O)c(C)cc1Nc1nc(NCCNc2nc(Cc3ccc(/N=N/c4ccc(/N=N/c5ccc(S(=O)(=O)O)cc5)cc4)c(C)c3)nc(Cc3ccc(/N=N/c4ccc(/N=N/c5ccccc5)cc4S(=O)(=O)O)c(C)c3)n2)nc(Nc2ccc(/N=N/c3ccc(/N=N/c4ccc(S(=O)(=O)O)cc4)cc3)c(C)c2)n1.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.O=S(=O)=O.O=S(=O)=O.
What is the InChIKey of 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)?
The InChIKey is RIMKXRPWWHWUHF-DRUZBAOMSA-N. The full InChI is InChI=1S/C95H90N26O18S5.C92H84N26O17S5.C89H78N26O13S4.16O3S/c1-7-44-137-85-57-82(120-117-79-40-33-74(54-88(79)143(131,132)133)114-106-65-16-11-9-12-17-65)60(4)49-63(85)52-90-100-91(53-64-48-59(3)81(56-86(64)139-46-15-47-140(122,123)124)119-113-70-26-22-68(23-27-70)109-111-72-30-37-77(38-31-72)142(128,129)130)102-92(101-90)96-42-43-97-93-103-94(98-73-32-39-78(61(5)50-73)116-112-69-24-20-67(21-25-69)108-110-71-28-35-76(36-29-71)141(125,126)127)105-95(104-93)99-84-51-62(6)83(58-87(84)138-45-8-2)121-118-80-41-34-75(55-89(80)144(134,135)136)115-107-66-18-13-10-14-19-66;1-6-44-134-83-56-82(118-116-80-41-33-74(54-86(80)140(131,132)133)112-104-64-16-11-8-12-17-64)58(3)48-61(83)51-87-97-88(52-62-47-57(2)81(55-84(62)135-45-13-46-136(119,120)121)117-110-68-24-20-66(21-25-68)106-108-70-28-36-76(37-29-70)138(125,126)127)99-89(98-87)93-42-43-94-90-100-91(95-71-30-38-77(59(4)49-71)113-109-67-22-18-65(19-23-67)105-107-69-26-34-75(35-27-69)137(122,123)124)102-92(101-90)96-72-31-39-78(60(5)50-72)114-115-79-40-32-73(53-85(79)139(128,129)130)111-103-63-14-9-7-10-15-63;1-6-45-128-81-54-79(115-114-78-42-33-71(53-83(78)132(125,126)127)109-101-62-15-11-8-12-16-62)58(5)49-80(81)93-89-98-87(97-88(99-89)92-69-31-40-76(57(4)48-69)111-107-66-25-21-64(22-26-66)103-105-68-29-36-73(37-30-68)130(119,120)121)91-44-43-90-86-95-84(50-59-17-38-74(55(2)46-59)110-106-65-23-19-63(20-24-65)102-104-67-27-34-72(35-28-67)129(116,117)118)94-85(96-86)51-60-18-39-75(56(3)47-60)112-113-77-41-32-70(52-82(77)131(122,123)124)108-100-61-13-9-7-10-14-61;16*1-4(2)3/h9-14,16-41,48-51,54-58H,7-8,15,42-47,52-53H2,1-6H3,(H,122,123,124)(H,125,126,127)(H,128,129,130)(H,131,132,133)(H,134,135,136)(H,96,100,101,102)(H3,97,98,99,103,104,105);7-12,14-41,47-50,53-56H,6,13,42-46,51-52H2,1-5H3,(H,119,120,121)(H,122,123,124)(H,125,126,127)(H,128,129,130)(H,131,132,133)(H,93,97,98,99)(H3,94,95,96,100,101,102);7-42,46-49,52-54H,6,43-45,50-51H2,1-5H3,(H,116,117,118)(H,119,120,121)(H,122,123,124)(H,125,126,127)(H,90,94,95,96)(H3,91,92,93,97,98,99);;;;;;;;;;;;;;;;/b110-108+,111-109+,114-106+,115-107+,116-112+,119-113+,120-117+,121-118+;107-105+,108-106+,111-103+,112-104+,113-109+,115-114+,117-110+,118-116+;104-102+,105-103+,108-100+,109-101+,110-106+,111-107+,113-112+,115-114+;;;;;;;;;;;;;;;;.
What are the key properties of 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)?
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) has a molecular weight of 7159.51 g/mol, XLogP of 57.78, 121 rotatable bonds, 26 hydrogen bond donors, and 160 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 160635540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).