5-[2,6-di(propan-2-yl)phenoxy]-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;4-[[7-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22,26-diphenoxy-18-(2-propan-2-yl-6-propylphenyl)-14-(4-sulfophenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(3-sulfopropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;5-phenoxy-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;pentakis(sulfur trioxide);4-[[6,8,17,19-tetraoxo-22-phenoxy-7,18-bis(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid

C302H242N10O68S11 — CID 158444060

IUPAC5-[2,6-di(propan-2-yl)phenoxy]-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;4-[[7-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22,26-diphenoxy-18-(2-propan-2-yl-6-propylphenyl)-14-(4-sulfophenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(3-sulfopropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;5-phenoxy-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;pentakis(sulfur trioxide);4-[[6,8,17,19-tetraoxo-22-phenoxy-7,18-bis(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid
SMILESCCCc1cccc(C(C)C)c1N1C(=O)c2cc(Oc3ccccc3)c3c4c(Oc5ccccc5)cc5c6c(cc(Oc7ccc(S(=O)(=O)O)cc7)c(c7c(Oc8ccc(S(=O)(=O)O)cc8)cc(c2c37)C1=O)c64)C(=O)N(CCCO)C5=O.CCCc1cccc(C(C)C)c1N1C(=O)c2ccc3c4c(Oc5ccc(S(=O)(=O)O)cc5)cc5c6c(ccc(c7c(Oc8ccccc8)cc(c2c37)C1=O)c64)C(=O)N(c1c(CCC)cccc1C(C)C)C5=O.CCCc1cccc(C(C)C)c1N1C(=O)c2ccc3c4c(Oc5ccccc5)cc5c6c(ccc(c7c(Oc8ccc(S(=O)(=O)O)cc8)cc(c2c37)C1=O)c64)C(=O)N(CCCO)C5=O.CCCc1cccc(C(C)C)c1N1C(=O)c2ccc3c4cccc5c(Oc6c(C(C)C)cccc6C(C)C)ccc(c6ccc(c2c36)C1=O)c54.CCCc1cccc(C(C)C)c1N1C(=O)c2ccc3c4cccc5c(Oc6ccccc6)ccc(c6ccc(c2c36)C1=O)c54.O=C1c2ccc3c4c(Oc5ccc(S(=O)(=O)O)cc5)cc5c6c(ccc(c7c(Oc8ccccc8)cc(c2c37)C(=O)N1CCCO)c64)C(=O)N(CCCS(=O)(=O)O)C5=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C63H48N2O15S2.C60H50N2O9S.C51H40N2O10S.C46H43NO3.C42H30N2O13S2.C40H31NO3.5O3S/c1-4-13-35-14-11-19-42(34(2)3)59(35)65-62(69)45-32-49(78-37-17-9-6-10-18-37)55-53-47(77-36-15-7-5-8-16-36)30-43-51-44(61(68)64(60(43)67)28-12-29-66)31-48(79-38-20-24-40(25-21-38)81(71,72)73)54(57(51)53)56-50(33-46(63(65)70)52(45)58(55)56)80-39-22-26-41(27-23-39)82(74,75)76;1-7-14-34-16-12-20-39(32(3)4)55(34)61-57(63)43-29-27-42-52-48(71-37-22-24-38(25-23-37)72(67,68)69)31-46-50-44(58(64)62(60(46)66)56-35(15-8-2)17-13-21-40(56)33(5)6)28-26-41(54(50)52)51-47(70-36-18-10-9-11-19-36)30-45(59(61)65)49(43)53(42)51;1-4-10-28-11-8-14-32(27(2)3)47(28)53-50(57)36-22-20-34-43-39(62-29-12-6-5-7-13-29)25-37-41-35(48(55)52(49(37)56)23-9-24-54)21-19-33(45(41)43)44-40(26-38(51(53)58)42(36)46(34)44)63-30-15-17-31(18-16-30)64(59,60)61;1-8-12-28-13-9-14-29(25(2)3)43(28)47-45(48)37-21-19-34-32-17-11-18-36-39(50-44-30(26(4)5)15-10-16-31(44)27(6)7)24-23-33(40(32)36)35-20-22-38(46(47)49)42(37)41(34)35;45-18-4-16-43-39(46)27-14-12-26-36-32(57-23-8-10-24(11-9-23)59(53,54)55)21-30-34-28(40(47)44(42(30)49)17-5-19-58(50,51)52)15-13-25(38(34)36)35-31(56-22-6-2-1-3-7-22)20-29(41(43)48)33(27)37(26)35;1-4-10-24-11-8-14-26(23(2)3)38(24)41-39(42)32-19-17-29-27-15-9-16-31-34(44-25-12-6-5-7-13-25)22-21-28(35(27)31)30-18-20-33(40(41)43)37(32)36(29)30;5*1-4(2)3/h5-11,14-27,30-34,66H,4,12-13,28-29H2,1-3H3,(H,71,72,73)(H,74,75,76);9-13,16-33H,7-8,14-15H2,1-6H3,(H,67,68,69);5-8,11-22,25-27,54H,4,9-10,23-24H2,1-3H3,(H,59,60,61);9-11,13-27H,8,12H2,1-7H3;1-3,6-15,20-21,45H,4-5,16-19H2,(H,50,51,52)(H,53,54,55);5-9,11-23H,4,10H2,1-3H3;;;;;
InChIKeyHDEBIJHWGMOUGB-UHFFFAOYSA-N
MW5452.00 g/mol
LogP62.46
Rot. Bonds68

About 5-[2,6-di(propan-2-yl)phenoxy]-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;4-[[7-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22,26-diphenoxy-18-(2-propan-2-yl-6-propylphenyl)-14-(4-sulfophenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(3-sulfopropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;5-phenoxy-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;pentakis(sulfur trioxide);4-[[6,8,17,19-tetraoxo-22-phenoxy-7,18-bis(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid

5-[2,6-di(propan-2-yl)phenoxy]-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;4-[[7-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22,26-diphenoxy-18-(2-propan-2-yl-6-propylphenyl)-14-(4-sulfophenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(3-sulfopropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;5-phenoxy-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;pentakis(sulfur trioxide);4-[[6,8,17,19-tetraoxo-22-phenoxy-7,18-bis(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid (PubChem CID 158444060) has the molecular formula C302H242N10O68S11 and a molecular weight of 5452.00 g/mol. Its IUPAC name is 5-[2,6-di(propan-2-yl)phenoxy]-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;4-[[7-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22,26-diphenoxy-18-(2-propan-2-yl-6-propylphenyl)-14-(4-sulfophenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(3-sulfopropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;5-phenoxy-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;pentakis(sulfur trioxide);4-[[6,8,17,19-tetraoxo-22-phenoxy-7,18-bis(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid.

Molecular Properties

Compound Name5-[2,6-di(propan-2-yl)phenoxy]-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;4-[[7-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22,26-diphenoxy-18-(2-propan-2-yl-6-propylphenyl)-14-(4-sulfophenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(3-sulfopropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;5-phenoxy-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;pentakis(sulfur trioxide);4-[[6,8,17,19-tetraoxo-22-phenoxy-7,18-bis(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid
PubChem CID158444060
Molecular FormulaC302H242N10O68S11
Molecular Weight5452.00 g/mol
Exact Mass5447.27
IUPAC Name5-[2,6-di(propan-2-yl)phenoxy]-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;4-[[7-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22,26-diphenoxy-18-(2-propan-2-yl-6-propylphenyl)-14-(4-sulfophenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(3-sulfopropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;5-phenoxy-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;pentakis(sulfur trioxide);4-[[6,8,17,19-tetraoxo-22-phenoxy-7,18-bis(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid
SMILESCCCc1cccc(C(C)C)c1N1C(=O)c2cc(Oc3ccccc3)c3c4c(Oc5ccccc5)cc5c6c(cc(Oc7ccc(S(=O)(=O)O)cc7)c(c7c(Oc8ccc(S(=O)(=O)O)cc8)cc(c2c37)C1=O)c64)C(=O)N(CCCO)C5=O.CCCc1cccc(C(C)C)c1N1C(=O)c2ccc3c4c(Oc5ccc(S(=O)(=O)O)cc5)cc5c6c(ccc(c7c(Oc8ccccc8)cc(c2c37)C1=O)c64)C(=O)N(c1c(CCC)cccc1C(C)C)C5=O.CCCc1cccc(C(C)C)c1N1C(=O)c2ccc3c4c(Oc5ccccc5)cc5c6c(ccc(c7c(Oc8ccc(S(=O)(=O)O)cc8)cc(c2c37)C1=O)c64)C(=O)N(CCCO)C5=O.CCCc1cccc(C(C)C)c1N1C(=O)c2ccc3c4cccc5c(Oc6c(C(C)C)cccc6C(C)C)ccc(c6ccc(c2c36)C1=O)c54.CCCc1cccc(C(C)C)c1N1C(=O)c2ccc3c4cccc5c(Oc6ccccc6)ccc(c6ccc(c2c36)C1=O)c54.O=C1c2ccc3c4c(Oc5ccc(S(=O)(=O)O)cc5)cc5c6c(ccc(c7c(Oc8ccccc8)cc(c2c37)C(=O)N1CCCO)c64)C(=O)N(CCCS(=O)(=O)O)C5=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C63H48N2O15S2.C60H50N2O9S.C51H40N2O10S.C46H43NO3.C42H30N2O13S2.C40H31NO3.5O3S/c1-4-13-35-14-11-19-42(34(2)3)59(35)65-62(69)45-32-49(78-37-17-9-6-10-18-37)55-53-47(77-36-15-7-5-8-16-36)30-43-51-44(61(68)64(60(43)67)28-12-29-66)31-48(79-38-20-24-40(25-21-38)81(71,72)73)54(57(51)53)56-50(33-46(63(65)70)52(45)58(55)56)80-39-22-26-41(27-23-39)82(74,75)76;1-7-14-34-16-12-20-39(32(3)4)55(34)61-57(63)43-29-27-42-52-48(71-37-22-24-38(25-23-37)72(67,68)69)31-46-50-44(58(64)62(60(46)66)56-35(15-8-2)17-13-21-40(56)33(5)6)28-26-41(54(50)52)51-47(70-36-18-10-9-11-19-36)30-45(59(61)65)49(43)53(42)51;1-4-10-28-11-8-14-32(27(2)3)47(28)53-50(57)36-22-20-34-43-39(62-29-12-6-5-7-13-29)25-37-41-35(48(55)52(49(37)56)23-9-24-54)21-19-33(45(41)43)44-40(26-38(51(53)58)42(36)46(34)44)63-30-15-17-31(18-16-30)64(59,60)61;1-8-12-28-13-9-14-29(25(2)3)43(28)47-45(48)37-21-19-34-32-17-11-18-36-39(50-44-30(26(4)5)15-10-16-31(44)27(6)7)24-23-33(40(32)36)35-20-22-38(46(47)49)42(37)41(34)35;45-18-4-16-43-39(46)27-14-12-26-36-32(57-23-8-10-24(11-9-23)59(53,54)55)21-30-34-28(40(47)44(42(30)49)17-5-19-58(50,51)52)15-13-25(38(34)36)35-31(56-22-6-2-1-3-7-22)20-29(41(43)48)33(27)37(26)35;1-4-10-24-11-8-14-26(23(2)3)38(24)41-39(42)32-19-17-29-27-15-9-16-31-34(44-25-12-6-5-7-13-25)22-21-28(35(27)31)30-18-20-33(40(41)43)37(32)36(29)30;5*1-4(2)3/h5-11,14-27,30-34,66H,4,12-13,28-29H2,1-3H3,(H,71,72,73)(H,74,75,76);9-13,16-33H,7-8,14-15H2,1-6H3,(H,67,68,69);5-8,11-22,25-27,54H,4,9-10,23-24H2,1-3H3,(H,59,60,61);9-11,13-27H,8,12H2,1-7H3;1-3,6-15,20-21,45H,4-5,16-19H2,(H,50,51,52)(H,53,54,55);5-9,11-23H,4,10H2,1-3H3;;;;;
InChIKeyHDEBIJHWGMOUGB-UHFFFAOYSA-N
XLogP62.46
TPSA1127.52 Ų
H-Bond Donors9
H-Bond Acceptors62
Rotatable Bonds68
Heavy Atoms391
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005452.00
LogP ≤ 562.46
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1062

Analyze 5-[2,6-di(propan-2-yl)phenoxy]-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;4-[[7-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22,26-diphenoxy-18-(2-propan-2-yl-6-propylphenyl)-14-(4-sulfophenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(3-sulfopropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;5-phenoxy-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;pentakis(sulfur trioxide);4-[[6,8,17,19-tetraoxo-22-phenoxy-7,18-bis(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-di(propan-2-yl)phenoxy]-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;4-[[7-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22,26-diphenoxy-18-(2-propan-2-yl-6-propylphenyl)-14-(4-sulfophenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(3-sulfopropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;5-phenoxy-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;pentakis(sulfur trioxide);4-[[6,8,17,19-tetraoxo-22-phenoxy-7,18-bis(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid?
The IUPAC name of 5-[2,6-di(propan-2-yl)phenoxy]-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;4-[[7-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22,26-diphenoxy-18-(2-propan-2-yl-6-propylphenyl)-14-(4-sulfophenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(3-sulfopropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;5-phenoxy-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;pentakis(sulfur trioxide);4-[[6,8,17,19-tetraoxo-22-phenoxy-7,18-bis(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid (CID 158444060) is 5-[2,6-di(propan-2-yl)phenoxy]-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;4-[[7-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22,26-diphenoxy-18-(2-propan-2-yl-6-propylphenyl)-14-(4-sulfophenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(3-sulfopropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;5-phenoxy-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;pentakis(sulfur trioxide);4-[[6,8,17,19-tetraoxo-22-phenoxy-7,18-bis(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid.
What is the SMILES notation for 5-[2,6-di(propan-2-yl)phenoxy]-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;4-[[7-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22,26-diphenoxy-18-(2-propan-2-yl-6-propylphenyl)-14-(4-sulfophenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(3-sulfopropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;5-phenoxy-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;pentakis(sulfur trioxide);4-[[6,8,17,19-tetraoxo-22-phenoxy-7,18-bis(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid?
The canonical SMILES for 5-[2,6-di(propan-2-yl)phenoxy]-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;4-[[7-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22,26-diphenoxy-18-(2-propan-2-yl-6-propylphenyl)-14-(4-sulfophenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(3-sulfopropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;5-phenoxy-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;pentakis(sulfur trioxide);4-[[6,8,17,19-tetraoxo-22-phenoxy-7,18-bis(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid is CCCc1cccc(C(C)C)c1N1C(=O)c2cc(Oc3ccccc3)c3c4c(Oc5ccccc5)cc5c6c(cc(Oc7ccc(S(=O)(=O)O)cc7)c(c7c(Oc8ccc(S(=O)(=O)O)cc8)cc(c2c37)C1=O)c64)C(=O)N(CCCO)C5=O.CCCc1cccc(C(C)C)c1N1C(=O)c2ccc3c4c(Oc5ccc(S(=O)(=O)O)cc5)cc5c6c(ccc(c7c(Oc8ccccc8)cc(c2c37)C1=O)c64)C(=O)N(c1c(CCC)cccc1C(C)C)C5=O.CCCc1cccc(C(C)C)c1N1C(=O)c2ccc3c4c(Oc5ccccc5)cc5c6c(ccc(c7c(Oc8ccc(S(=O)(=O)O)cc8)cc(c2c37)C1=O)c64)C(=O)N(CCCO)C5=O.CCCc1cccc(C(C)C)c1N1C(=O)c2ccc3c4cccc5c(Oc6c(C(C)C)cccc6C(C)C)ccc(c6ccc(c2c36)C1=O)c54.CCCc1cccc(C(C)C)c1N1C(=O)c2ccc3c4cccc5c(Oc6ccccc6)ccc(c6ccc(c2c36)C1=O)c54.O=C1c2ccc3c4c(Oc5ccc(S(=O)(=O)O)cc5)cc5c6c(ccc(c7c(Oc8ccccc8)cc(c2c37)C(=O)N1CCCO)c64)C(=O)N(CCCS(=O)(=O)O)C5=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 5-[2,6-di(propan-2-yl)phenoxy]-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;4-[[7-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22,26-diphenoxy-18-(2-propan-2-yl-6-propylphenyl)-14-(4-sulfophenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(3-sulfopropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;5-phenoxy-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;pentakis(sulfur trioxide);4-[[6,8,17,19-tetraoxo-22-phenoxy-7,18-bis(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid?
The InChIKey is HDEBIJHWGMOUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H48N2O15S2.C60H50N2O9S.C51H40N2O10S.C46H43NO3.C42H30N2O13S2.C40H31NO3.5O3S/c1-4-13-35-14-11-19-42(34(2)3)59(35)65-62(69)45-32-49(78-37-17-9-6-10-18-37)55-53-47(77-36-15-7-5-8-16-36)30-43-51-44(61(68)64(60(43)67)28-12-29-66)31-48(79-38-20-24-40(25-21-38)81(71,72)73)54(57(51)53)56-50(33-46(63(65)70)52(45)58(55)56)80-39-22-26-41(27-23-39)82(74,75)76;1-7-14-34-16-12-20-39(32(3)4)55(34)61-57(63)43-29-27-42-52-48(71-37-22-24-38(25-23-37)72(67,68)69)31-46-50-44(58(64)62(60(46)66)56-35(15-8-2)17-13-21-40(56)33(5)6)28-26-41(54(50)52)51-47(70-36-18-10-9-11-19-36)30-45(59(61)65)49(43)53(42)51;1-4-10-28-11-8-14-32(27(2)3)47(28)53-50(57)36-22-20-34-43-39(62-29-12-6-5-7-13-29)25-37-41-35(48(55)52(49(37)56)23-9-24-54)21-19-33(45(41)43)44-40(26-38(51(53)58)42(36)46(34)44)63-30-15-17-31(18-16-30)64(59,60)61;1-8-12-28-13-9-14-29(25(2)3)43(28)47-45(48)37-21-19-34-32-17-11-18-36-39(50-44-30(26(4)5)15-10-16-31(44)27(6)7)24-23-33(40(32)36)35-20-22-38(46(47)49)42(37)41(34)35;45-18-4-16-43-39(46)27-14-12-26-36-32(57-23-8-10-24(11-9-23)59(53,54)55)21-30-34-28(40(47)44(42(30)49)17-5-19-58(50,51)52)15-13-25(38(34)36)35-31(56-22-6-2-1-3-7-22)20-29(41(43)48)33(27)37(26)35;1-4-10-24-11-8-14-26(23(2)3)38(24)41-39(42)32-19-17-29-27-15-9-16-31-34(44-25-12-6-5-7-13-25)22-21-28(35(27)31)30-18-20-33(40(41)43)37(32)36(29)30;5*1-4(2)3/h5-11,14-27,30-34,66H,4,12-13,28-29H2,1-3H3,(H,71,72,73)(H,74,75,76);9-13,16-33H,7-8,14-15H2,1-6H3,(H,67,68,69);5-8,11-22,25-27,54H,4,9-10,23-24H2,1-3H3,(H,59,60,61);9-11,13-27H,8,12H2,1-7H3;1-3,6-15,20-21,45H,4-5,16-19H2,(H,50,51,52)(H,53,54,55);5-9,11-23H,4,10H2,1-3H3;;;;;.
What are the key properties of 5-[2,6-di(propan-2-yl)phenoxy]-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;4-[[7-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22,26-diphenoxy-18-(2-propan-2-yl-6-propylphenyl)-14-(4-sulfophenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(3-sulfopropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;5-phenoxy-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;pentakis(sulfur trioxide);4-[[6,8,17,19-tetraoxo-22-phenoxy-7,18-bis(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid?
5-[2,6-di(propan-2-yl)phenoxy]-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;4-[[7-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22,26-diphenoxy-18-(2-propan-2-yl-6-propylphenyl)-14-(4-sulfophenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(3-sulfopropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;5-phenoxy-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;pentakis(sulfur trioxide);4-[[6,8,17,19-tetraoxo-22-phenoxy-7,18-bis(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid has a molecular weight of 5452.00 g/mol, XLogP of 62.46, 68 rotatable bonds, 9 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-di(propan-2-yl)phenoxy]-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;4-[[7-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22,26-diphenoxy-18-(2-propan-2-yl-6-propylphenyl)-14-(4-sulfophenoxy)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;4-[[18-(3-hydroxypropyl)-6,8,17,19-tetraoxo-22-phenoxy-7-(3-sulfopropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid;5-phenoxy-16-(2-propan-2-yl-6-propylphenyl)-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6,8,10(23),11(21),12,14(22),18-decaene-15,17-dione;pentakis(sulfur trioxide);4-[[6,8,17,19-tetraoxo-22-phenoxy-7,18-bis(2-propan-2-yl-6-propylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaen-11-yl]oxy]benzenesulfonic acid is sourced from PubChem (CID 158444060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).