5-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-[[13-(4-cyano-N-(6-phenyldibenzofuran-4-yl)anilino)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaen-22-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-N,13-N-di(dibenzothiophen-3-yl)-4-N,13-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,7.08,27.010,15.017,26.019,24]heptacosa-2(7),3,5,8(27),9,11,13,15,17,19,21,23,25-tridecaene-4,13-diamine;5-N,18-N-di(dibenzothiophen-4-yl)-5-N,18-N-bis(4-methylphenyl)-12-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-5,18-diamine;20-N-(6-methyldibenzofuran-4-yl)-7-N,20-N-bis(3-methylphenyl)-7-N-(6-trimethylsilyldibenzofuran-4-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13,15,17,19,21-undecaene-7,20-diamine

C398H270N20O8S4Si — CID 161431800

IUPAC5-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-[[13-(4-cyano-N-(6-phenyldibenzofuran-4-yl)anilino)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaen-22-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-N,13-N-di(dibenzothiophen-3-yl)-4-N,13-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,7.08,27.010,15.017,26.019,24]heptacosa-2(7),3,5,8(27),9,11,13,15,17,19,21,23,25-tridecaene-4,13-diamine;5-N,18-N-di(dibenzothiophen-4-yl)-5-N,18-N-bis(4-methylphenyl)-12-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-5,18-diamine;20-N-(6-methyldibenzofuran-4-yl)-7-N,20-N-bis(3-methylphenyl)-7-N-(6-trimethylsilyldibenzofuran-4-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13,15,17,19,21-undecaene-7,20-diamine
SMILESCc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3cc4c5ccc(N(c6ccc(C)cc6)c6ccc7c(c6)sc6ccccc67)cc5n5c6cc7ccccc7cc6c(c3c2)c45)cc1.Cc1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C)cc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)cc5n5c6ccccc6c(c3c2)c45)c2cccc3c2oc2c(C(C)(C)C)cccc23)cc1.Cc1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C)cc6)c6cccc7c6oc6ccccc67)cc5n5c6ccccc6c(c3c2)c45)c2cccc3c2oc2ccccc23)cc1.Cc1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C)cc6)c6cccc7c6sc6ccccc67)cc5n5c6ccc(-c7ccccc7)cc6c(c3c2)c45)c2cccc3c2sc2ccccc23)cc1.Cc1cccc(N(c2ccc3cc4c5ccc(N(c6cccc(C)c6)c6cccc7c6oc6c(C)cccc67)c6c7ccccc7n(c4cc3c2)c56)c2cccc3c2oc2c([Si](C)(C)C)cccc23)c1.N#Cc1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C#N)cc6)c6cccc7c6oc6c(-c8ccccc8)cccc67)c6c7ccc8ccccc8c7n(c4cc3c2)c56)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C76H43N5O2.C68H55N3O2.C66H43N3S2.C64H49N3O2Si.C64H41N3S2.C60H39N3O2/c77-44-46-27-33-53(34-28-46)79(67-25-11-23-62-60-21-9-19-57(73(60)82-75(62)67)48-13-3-1-4-14-48)55-37-31-51-42-65-59-39-40-66(70-64-38-32-50-17-7-8-18-56(50)71(64)81(72(59)70)69(65)43-52(51)41-55)80(54-35-29-47(45-78)30-36-54)68-26-12-24-63-61-22-10-20-58(74(61)83-76(63)68)49-15-5-2-6-16-49;1-40-25-30-43(31-26-40)69(58-23-13-18-50-48-16-11-20-55(67(3,4)5)63(48)72-65(50)58)45-34-29-42-37-54-47-36-35-46(39-60(47)71-57-22-10-9-15-52(57)61(62(54)71)53(42)38-45)70(44-32-27-41(2)28-33-44)59-24-14-19-51-49-17-12-21-56(68(6,7)8)64(49)73-66(51)59;1-40-22-28-45(29-23-40)67(58-18-10-16-52-50-14-6-8-20-61(50)70-65(52)58)47-32-26-44-37-55-49-34-33-48(68(46-30-24-41(2)25-31-46)59-19-11-17-53-51-15-7-9-21-62(51)71-66(53)59)39-60(49)69-57-35-27-43(42-12-4-3-5-13-42)36-56(57)63(64(55)69)54(44)38-47;1-38-15-9-18-43(33-38)65(55-26-12-23-49-50-24-14-28-58(70(4,5)6)64(50)69-62(49)55)45-30-29-41-36-52-46-31-32-54(59-51-20-7-8-25-53(51)67(60(46)59)57(52)37-42(41)35-45)66(44-19-10-16-39(2)34-44)56-27-13-22-48-47-21-11-17-40(3)61(47)68-63(48)56;1-38-15-20-43(21-16-38)65(47-26-29-52-50-11-5-7-13-59(50)68-61(52)36-47)45-24-19-42-32-55-49-28-25-46(35-58(49)67-57-33-41-10-4-3-9-40(41)31-56(57)63(64(55)67)54(42)34-45)66(44-22-17-39(2)18-23-44)48-27-30-53-51-12-6-8-14-60(51)69-62(53)37-48;1-36-21-26-39(27-22-36)61(52-17-9-14-46-44-11-4-7-19-55(44)64-59(46)52)41-30-25-38-33-50-43-32-31-42(35-54(43)63-51-16-6-3-13-48(51)57(58(50)63)49(38)34-41)62(40-28-23-37(2)24-29-40)53-18-10-15-47-45-12-5-8-20-56(45)65-60(47)53/h1-43H;9-39H,1-8H3;3-39H,1-2H3;7-37H,1-6H3;3-37H,1-2H3;3-35H,1-2H3
InChIKeyVYCOJPFUBPJSPI-UHFFFAOYSA-N
MW5617.02 g/mol
LogP115.83
Rot. Bonds40

About 5-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-[[13-(4-cyano-N-(6-phenyldibenzofuran-4-yl)anilino)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaen-22-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-N,13-N-di(dibenzothiophen-3-yl)-4-N,13-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,7.08,27.010,15.017,26.019,24]heptacosa-2(7),3,5,8(27),9,11,13,15,17,19,21,23,25-tridecaene-4,13-diamine;5-N,18-N-di(dibenzothiophen-4-yl)-5-N,18-N-bis(4-methylphenyl)-12-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-5,18-diamine;20-N-(6-methyldibenzofuran-4-yl)-7-N,20-N-bis(3-methylphenyl)-7-N-(6-trimethylsilyldibenzofuran-4-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13,15,17,19,21-undecaene-7,20-diamine

5-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-[[13-(4-cyano-N-(6-phenyldibenzofuran-4-yl)anilino)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaen-22-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-N,13-N-di(dibenzothiophen-3-yl)-4-N,13-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,7.08,27.010,15.017,26.019,24]heptacosa-2(7),3,5,8(27),9,11,13,15,17,19,21,23,25-tridecaene-4,13-diamine;5-N,18-N-di(dibenzothiophen-4-yl)-5-N,18-N-bis(4-methylphenyl)-12-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-5,18-diamine;20-N-(6-methyldibenzofuran-4-yl)-7-N,20-N-bis(3-methylphenyl)-7-N-(6-trimethylsilyldibenzofuran-4-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13,15,17,19,21-undecaene-7,20-diamine (PubChem CID 161431800) has the molecular formula C398H270N20O8S4Si and a molecular weight of 5617.02 g/mol. Its IUPAC name is 5-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-[[13-(4-cyano-N-(6-phenyldibenzofuran-4-yl)anilino)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaen-22-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-N,13-N-di(dibenzothiophen-3-yl)-4-N,13-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,7.08,27.010,15.017,26.019,24]heptacosa-2(7),3,5,8(27),9,11,13,15,17,19,21,23,25-tridecaene-4,13-diamine;5-N,18-N-di(dibenzothiophen-4-yl)-5-N,18-N-bis(4-methylphenyl)-12-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-5,18-diamine;20-N-(6-methyldibenzofuran-4-yl)-7-N,20-N-bis(3-methylphenyl)-7-N-(6-trimethylsilyldibenzofuran-4-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13,15,17,19,21-undecaene-7,20-diamine.

Molecular Properties

Compound Name5-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-[[13-(4-cyano-N-(6-phenyldibenzofuran-4-yl)anilino)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaen-22-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-N,13-N-di(dibenzothiophen-3-yl)-4-N,13-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,7.08,27.010,15.017,26.019,24]heptacosa-2(7),3,5,8(27),9,11,13,15,17,19,21,23,25-tridecaene-4,13-diamine;5-N,18-N-di(dibenzothiophen-4-yl)-5-N,18-N-bis(4-methylphenyl)-12-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-5,18-diamine;20-N-(6-methyldibenzofuran-4-yl)-7-N,20-N-bis(3-methylphenyl)-7-N-(6-trimethylsilyldibenzofuran-4-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13,15,17,19,21-undecaene-7,20-diamine
PubChem CID161431800
Molecular FormulaC398H270N20O8S4Si
Molecular Weight5617.02 g/mol
Exact Mass5612.00
IUPAC Name5-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-[[13-(4-cyano-N-(6-phenyldibenzofuran-4-yl)anilino)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaen-22-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-N,13-N-di(dibenzothiophen-3-yl)-4-N,13-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,7.08,27.010,15.017,26.019,24]heptacosa-2(7),3,5,8(27),9,11,13,15,17,19,21,23,25-tridecaene-4,13-diamine;5-N,18-N-di(dibenzothiophen-4-yl)-5-N,18-N-bis(4-methylphenyl)-12-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-5,18-diamine;20-N-(6-methyldibenzofuran-4-yl)-7-N,20-N-bis(3-methylphenyl)-7-N-(6-trimethylsilyldibenzofuran-4-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13,15,17,19,21-undecaene-7,20-diamine
SMILESCc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3cc4c5ccc(N(c6ccc(C)cc6)c6ccc7c(c6)sc6ccccc67)cc5n5c6cc7ccccc7cc6c(c3c2)c45)cc1.Cc1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C)cc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)cc5n5c6ccccc6c(c3c2)c45)c2cccc3c2oc2c(C(C)(C)C)cccc23)cc1.Cc1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C)cc6)c6cccc7c6oc6ccccc67)cc5n5c6ccccc6c(c3c2)c45)c2cccc3c2oc2ccccc23)cc1.Cc1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C)cc6)c6cccc7c6sc6ccccc67)cc5n5c6ccc(-c7ccccc7)cc6c(c3c2)c45)c2cccc3c2sc2ccccc23)cc1.Cc1cccc(N(c2ccc3cc4c5ccc(N(c6cccc(C)c6)c6cccc7c6oc6c(C)cccc67)c6c7ccccc7n(c4cc3c2)c56)c2cccc3c2oc2c([Si](C)(C)C)cccc23)c1.N#Cc1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C#N)cc6)c6cccc7c6oc6c(-c8ccccc8)cccc67)c6c7ccc8ccccc8c7n(c4cc3c2)c56)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C76H43N5O2.C68H55N3O2.C66H43N3S2.C64H49N3O2Si.C64H41N3S2.C60H39N3O2/c77-44-46-27-33-53(34-28-46)79(67-25-11-23-62-60-21-9-19-57(73(60)82-75(62)67)48-13-3-1-4-14-48)55-37-31-51-42-65-59-39-40-66(70-64-38-32-50-17-7-8-18-56(50)71(64)81(72(59)70)69(65)43-52(51)41-55)80(54-35-29-47(45-78)30-36-54)68-26-12-24-63-61-22-10-20-58(74(61)83-76(63)68)49-15-5-2-6-16-49;1-40-25-30-43(31-26-40)69(58-23-13-18-50-48-16-11-20-55(67(3,4)5)63(48)72-65(50)58)45-34-29-42-37-54-47-36-35-46(39-60(47)71-57-22-10-9-15-52(57)61(62(54)71)53(42)38-45)70(44-32-27-41(2)28-33-44)59-24-14-19-51-49-17-12-21-56(68(6,7)8)64(49)73-66(51)59;1-40-22-28-45(29-23-40)67(58-18-10-16-52-50-14-6-8-20-61(50)70-65(52)58)47-32-26-44-37-55-49-34-33-48(68(46-30-24-41(2)25-31-46)59-19-11-17-53-51-15-7-9-21-62(51)71-66(53)59)39-60(49)69-57-35-27-43(42-12-4-3-5-13-42)36-56(57)63(64(55)69)54(44)38-47;1-38-15-9-18-43(33-38)65(55-26-12-23-49-50-24-14-28-58(70(4,5)6)64(50)69-62(49)55)45-30-29-41-36-52-46-31-32-54(59-51-20-7-8-25-53(51)67(60(46)59)57(52)37-42(41)35-45)66(44-19-10-16-39(2)34-44)56-27-13-22-48-47-21-11-17-40(3)61(47)68-63(48)56;1-38-15-20-43(21-16-38)65(47-26-29-52-50-11-5-7-13-59(50)68-61(52)36-47)45-24-19-42-32-55-49-28-25-46(35-58(49)67-57-33-41-10-4-3-9-40(41)31-56(57)63(64(55)67)54(42)34-45)66(44-22-17-39(2)18-23-44)48-27-30-53-51-12-6-8-14-60(51)69-62(53)37-48;1-36-21-26-39(27-22-36)61(52-17-9-14-46-44-11-4-7-19-55(44)64-59(46)52)41-30-25-38-33-50-43-32-31-42(35-54(43)63-51-16-6-3-13-48(51)57(58(50)63)49(38)34-41)62(40-28-23-37(2)24-29-40)53-18-10-15-47-45-12-5-8-20-56(45)65-60(47)53/h1-43H;9-39H,1-8H3;3-39H,1-2H3;7-37H,1-6H3;3-37H,1-2H3;3-35H,1-2H3
InChIKeyVYCOJPFUBPJSPI-UHFFFAOYSA-N
XLogP115.83
TPSA218.04 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds40
Heavy Atoms431
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005617.02
LogP ≤ 5115.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 5-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-[[13-(4-cyano-N-(6-phenyldibenzofuran-4-yl)anilino)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaen-22-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-N,13-N-di(dibenzothiophen-3-yl)-4-N,13-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,7.08,27.010,15.017,26.019,24]heptacosa-2(7),3,5,8(27),9,11,13,15,17,19,21,23,25-tridecaene-4,13-diamine;5-N,18-N-di(dibenzothiophen-4-yl)-5-N,18-N-bis(4-methylphenyl)-12-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-5,18-diamine;20-N-(6-methyldibenzofuran-4-yl)-7-N,20-N-bis(3-methylphenyl)-7-N-(6-trimethylsilyldibenzofuran-4-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13,15,17,19,21-undecaene-7,20-diamine with MolForge

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What is the IUPAC name of 5-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-[[13-(4-cyano-N-(6-phenyldibenzofuran-4-yl)anilino)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaen-22-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-N,13-N-di(dibenzothiophen-3-yl)-4-N,13-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,7.08,27.010,15.017,26.019,24]heptacosa-2(7),3,5,8(27),9,11,13,15,17,19,21,23,25-tridecaene-4,13-diamine;5-N,18-N-di(dibenzothiophen-4-yl)-5-N,18-N-bis(4-methylphenyl)-12-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-5,18-diamine;20-N-(6-methyldibenzofuran-4-yl)-7-N,20-N-bis(3-methylphenyl)-7-N-(6-trimethylsilyldibenzofuran-4-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13,15,17,19,21-undecaene-7,20-diamine?
The IUPAC name of 5-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-[[13-(4-cyano-N-(6-phenyldibenzofuran-4-yl)anilino)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaen-22-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-N,13-N-di(dibenzothiophen-3-yl)-4-N,13-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,7.08,27.010,15.017,26.019,24]heptacosa-2(7),3,5,8(27),9,11,13,15,17,19,21,23,25-tridecaene-4,13-diamine;5-N,18-N-di(dibenzothiophen-4-yl)-5-N,18-N-bis(4-methylphenyl)-12-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-5,18-diamine;20-N-(6-methyldibenzofuran-4-yl)-7-N,20-N-bis(3-methylphenyl)-7-N-(6-trimethylsilyldibenzofuran-4-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13,15,17,19,21-undecaene-7,20-diamine (CID 161431800) is 5-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-[[13-(4-cyano-N-(6-phenyldibenzofuran-4-yl)anilino)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaen-22-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-N,13-N-di(dibenzothiophen-3-yl)-4-N,13-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,7.08,27.010,15.017,26.019,24]heptacosa-2(7),3,5,8(27),9,11,13,15,17,19,21,23,25-tridecaene-4,13-diamine;5-N,18-N-di(dibenzothiophen-4-yl)-5-N,18-N-bis(4-methylphenyl)-12-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-5,18-diamine;20-N-(6-methyldibenzofuran-4-yl)-7-N,20-N-bis(3-methylphenyl)-7-N-(6-trimethylsilyldibenzofuran-4-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13,15,17,19,21-undecaene-7,20-diamine.
What is the SMILES notation for 5-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-[[13-(4-cyano-N-(6-phenyldibenzofuran-4-yl)anilino)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaen-22-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-N,13-N-di(dibenzothiophen-3-yl)-4-N,13-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,7.08,27.010,15.017,26.019,24]heptacosa-2(7),3,5,8(27),9,11,13,15,17,19,21,23,25-tridecaene-4,13-diamine;5-N,18-N-di(dibenzothiophen-4-yl)-5-N,18-N-bis(4-methylphenyl)-12-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-5,18-diamine;20-N-(6-methyldibenzofuran-4-yl)-7-N,20-N-bis(3-methylphenyl)-7-N-(6-trimethylsilyldibenzofuran-4-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13,15,17,19,21-undecaene-7,20-diamine?
The canonical SMILES for 5-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-[[13-(4-cyano-N-(6-phenyldibenzofuran-4-yl)anilino)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaen-22-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-N,13-N-di(dibenzothiophen-3-yl)-4-N,13-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,7.08,27.010,15.017,26.019,24]heptacosa-2(7),3,5,8(27),9,11,13,15,17,19,21,23,25-tridecaene-4,13-diamine;5-N,18-N-di(dibenzothiophen-4-yl)-5-N,18-N-bis(4-methylphenyl)-12-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-5,18-diamine;20-N-(6-methyldibenzofuran-4-yl)-7-N,20-N-bis(3-methylphenyl)-7-N-(6-trimethylsilyldibenzofuran-4-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13,15,17,19,21-undecaene-7,20-diamine is Cc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3cc4c5ccc(N(c6ccc(C)cc6)c6ccc7c(c6)sc6ccccc67)cc5n5c6cc7ccccc7cc6c(c3c2)c45)cc1.Cc1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C)cc6)c6cccc7c6oc6c(C(C)(C)C)cccc67)cc5n5c6ccccc6c(c3c2)c45)c2cccc3c2oc2c(C(C)(C)C)cccc23)cc1.Cc1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C)cc6)c6cccc7c6oc6ccccc67)cc5n5c6ccccc6c(c3c2)c45)c2cccc3c2oc2ccccc23)cc1.Cc1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C)cc6)c6cccc7c6sc6ccccc67)cc5n5c6ccc(-c7ccccc7)cc6c(c3c2)c45)c2cccc3c2sc2ccccc23)cc1.Cc1cccc(N(c2ccc3cc4c5ccc(N(c6cccc(C)c6)c6cccc7c6oc6c(C)cccc67)c6c7ccccc7n(c4cc3c2)c56)c2cccc3c2oc2c([Si](C)(C)C)cccc23)c1.N#Cc1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C#N)cc6)c6cccc7c6oc6c(-c8ccccc8)cccc67)c6c7ccc8ccccc8c7n(c4cc3c2)c56)c2cccc3c2oc2c(-c4ccccc4)cccc23)cc1.
What is the InChIKey of 5-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-[[13-(4-cyano-N-(6-phenyldibenzofuran-4-yl)anilino)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaen-22-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-N,13-N-di(dibenzothiophen-3-yl)-4-N,13-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,7.08,27.010,15.017,26.019,24]heptacosa-2(7),3,5,8(27),9,11,13,15,17,19,21,23,25-tridecaene-4,13-diamine;5-N,18-N-di(dibenzothiophen-4-yl)-5-N,18-N-bis(4-methylphenyl)-12-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-5,18-diamine;20-N-(6-methyldibenzofuran-4-yl)-7-N,20-N-bis(3-methylphenyl)-7-N-(6-trimethylsilyldibenzofuran-4-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13,15,17,19,21-undecaene-7,20-diamine?
The InChIKey is VYCOJPFUBPJSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H43N5O2.C68H55N3O2.C66H43N3S2.C64H49N3O2Si.C64H41N3S2.C60H39N3O2/c77-44-46-27-33-53(34-28-46)79(67-25-11-23-62-60-21-9-19-57(73(60)82-75(62)67)48-13-3-1-4-14-48)55-37-31-51-42-65-59-39-40-66(70-64-38-32-50-17-7-8-18-56(50)71(64)81(72(59)70)69(65)43-52(51)41-55)80(54-35-29-47(45-78)30-36-54)68-26-12-24-63-61-22-10-20-58(74(61)83-76(63)68)49-15-5-2-6-16-49;1-40-25-30-43(31-26-40)69(58-23-13-18-50-48-16-11-20-55(67(3,4)5)63(48)72-65(50)58)45-34-29-42-37-54-47-36-35-46(39-60(47)71-57-22-10-9-15-52(57)61(62(54)71)53(42)38-45)70(44-32-27-41(2)28-33-44)59-24-14-19-51-49-17-12-21-56(68(6,7)8)64(49)73-66(51)59;1-40-22-28-45(29-23-40)67(58-18-10-16-52-50-14-6-8-20-61(50)70-65(52)58)47-32-26-44-37-55-49-34-33-48(68(46-30-24-41(2)25-31-46)59-19-11-17-53-51-15-7-9-21-62(51)71-66(53)59)39-60(49)69-57-35-27-43(42-12-4-3-5-13-42)36-56(57)63(64(55)69)54(44)38-47;1-38-15-9-18-43(33-38)65(55-26-12-23-49-50-24-14-28-58(70(4,5)6)64(50)69-62(49)55)45-30-29-41-36-52-46-31-32-54(59-51-20-7-8-25-53(51)67(60(46)59)57(52)37-42(41)35-45)66(44-19-10-16-39(2)34-44)56-27-13-22-48-47-21-11-17-40(3)61(47)68-63(48)56;1-38-15-20-43(21-16-38)65(47-26-29-52-50-11-5-7-13-59(50)68-61(52)36-47)45-24-19-42-32-55-49-28-25-46(35-58(49)67-57-33-41-10-4-3-9-40(41)31-56(57)63(64(55)67)54(42)34-45)66(44-22-17-39(2)18-23-44)48-27-30-53-51-12-6-8-14-60(51)69-62(53)37-48;1-36-21-26-39(27-22-36)61(52-17-9-14-46-44-11-4-7-19-55(44)64-59(46)52)41-30-25-38-33-50-43-32-31-42(35-54(43)63-51-16-6-3-13-48(51)57(58(50)63)49(38)34-41)62(40-28-23-37(2)24-29-40)53-18-10-15-47-45-12-5-8-20-56(45)65-60(47)53/h1-43H;9-39H,1-8H3;3-39H,1-2H3;7-37H,1-6H3;3-37H,1-2H3;3-35H,1-2H3.
What are the key properties of 5-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-[[13-(4-cyano-N-(6-phenyldibenzofuran-4-yl)anilino)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaen-22-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-N,13-N-di(dibenzothiophen-3-yl)-4-N,13-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,7.08,27.010,15.017,26.019,24]heptacosa-2(7),3,5,8(27),9,11,13,15,17,19,21,23,25-tridecaene-4,13-diamine;5-N,18-N-di(dibenzothiophen-4-yl)-5-N,18-N-bis(4-methylphenyl)-12-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-5,18-diamine;20-N-(6-methyldibenzofuran-4-yl)-7-N,20-N-bis(3-methylphenyl)-7-N-(6-trimethylsilyldibenzofuran-4-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13,15,17,19,21-undecaene-7,20-diamine?
5-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-[[13-(4-cyano-N-(6-phenyldibenzofuran-4-yl)anilino)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaen-22-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-N,13-N-di(dibenzothiophen-3-yl)-4-N,13-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,7.08,27.010,15.017,26.019,24]heptacosa-2(7),3,5,8(27),9,11,13,15,17,19,21,23,25-tridecaene-4,13-diamine;5-N,18-N-di(dibenzothiophen-4-yl)-5-N,18-N-bis(4-methylphenyl)-12-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-5,18-diamine;20-N-(6-methyldibenzofuran-4-yl)-7-N,20-N-bis(3-methylphenyl)-7-N-(6-trimethylsilyldibenzofuran-4-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13,15,17,19,21-undecaene-7,20-diamine has a molecular weight of 5617.02 g/mol, XLogP of 115.83, 40 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-[[13-(4-cyano-N-(6-phenyldibenzofuran-4-yl)anilino)-1-azaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaen-22-yl]-(6-phenyldibenzofuran-4-yl)amino]benzonitrile;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaene-5,18-diamine;4-N,13-N-di(dibenzothiophen-3-yl)-4-N,13-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,7.08,27.010,15.017,26.019,24]heptacosa-2(7),3,5,8(27),9,11,13,15,17,19,21,23,25-tridecaene-4,13-diamine;5-N,18-N-di(dibenzothiophen-4-yl)-5-N,18-N-bis(4-methylphenyl)-12-phenyl-8-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-5,18-diamine;20-N-(6-methyldibenzofuran-4-yl)-7-N,20-N-bis(3-methylphenyl)-7-N-(6-trimethylsilyldibenzofuran-4-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2(11),3,5,7,9,13,15,17,19,21-undecaene-7,20-diamine is sourced from PubChem (CID 161431800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).