5-N,18-N-bis(3-methylphenyl)-18-N-(4-methylphenyl)-12-phenyl-5-N-[4-(trifluoromethyl)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;4-N,13-N-di(dibenzofuran-3-yl)-4-N,13-N-bis(2,4-dimethylphenyl)-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;6-N,15-N-di(dibenzothiophen-4-yl)-6-N,15-N-bis(3-fluorophenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.018,23]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,15-diamine;5-N,18-N-di(dibenzothiophen-3-yl)-5-N,18-N-bis(2-methylphenyl)-11-(2,3,4,5,6-pentadeuteriophenyl)-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;3-[[7-[(3-isocyanophenyl)-(6-trimethylsilyldibenzofuran-4-yl)methyl]-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-undecaen-20-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;5-N-(6-methyldibenzofuran-4-yl)-5-N,18-N-bis(2-methylphenyl)-18-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]-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

C377H250F5N19O6S4Si — CID 161125160

About 5-N,18-N-bis(3-methylphenyl)-18-N-(4-methylphenyl)-12-phenyl-5-N-[4-(trifluoromethyl)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;4-N,13-N-di(dibenzofuran-3-yl)-4-N,13-N-bis(2,4-dimethylphenyl)-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;6-N,15-N-di(dibenzothiophen-4-yl)-6-N,15-N-bis(3-fluorophenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.018,23]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,15-diamine;5-N,18-N-di(dibenzothiophen-3-yl)-5-N,18-N-bis(2-methylphenyl)-11-(2,3,4,5,6-pentadeuteriophenyl)-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;3-[[7-[(3-isocyanophenyl)-(6-trimethylsilyldibenzofuran-4-yl)methyl]-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-undecaen-20-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;5-N-(6-methyldibenzofuran-4-yl)-5-N,18-N-bis(2-methylphenyl)-18-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]-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

5-N,18-N-bis(3-methylphenyl)-18-N-(4-methylphenyl)-12-phenyl-5-N-[4-(trifluoromethyl)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;4-N,13-N-di(dibenzofuran-3-yl)-4-N,13-N-bis(2,4-dimethylphenyl)-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;6-N,15-N-di(dibenzothiophen-4-yl)-6-N,15-N-bis(3-fluorophenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.018,23]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,15-diamine;5-N,18-N-di(dibenzothiophen-3-yl)-5-N,18-N-bis(2-methylphenyl)-11-(2,3,4,5,6-pentadeuteriophenyl)-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;3-[[7-[(3-isocyanophenyl)-(6-trimethylsilyldibenzofuran-4-yl)methyl]-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-undecaen-20-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;5-N-(6-methyldibenzofuran-4-yl)-5-N,18-N-bis(2-methylphenyl)-18-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]-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 (PubChem CID 161125160) has the molecular formula C377H250F5N19O6S4Si and a molecular weight of 5401.67 g/mol. Its IUPAC name is 5-N,18-N-bis(3-methylphenyl)-18-N-(4-methylphenyl)-12-phenyl-5-N-[4-(trifluoromethyl)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;4-N,13-N-di(dibenzofuran-3-yl)-4-N,13-N-bis(2,4-dimethylphenyl)-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;6-N,15-N-di(dibenzothiophen-4-yl)-6-N,15-N-bis(3-fluorophenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.018,23]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,15-diamine;5-N,18-N-di(dibenzothiophen-3-yl)-5-N,18-N-bis(2-methylphenyl)-11-(2,3,4,5,6-pentadeuteriophenyl)-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;3-[[7-[(3-isocyanophenyl)-(6-trimethylsilyldibenzofuran-4-yl)methyl]-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-undecaen-20-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;5-N-(6-methyldibenzofuran-4-yl)-5-N,18-N-bis(2-methylphenyl)-18-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]-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.

Molecular Properties

• Compound Name: 5-N,18-N-bis(3-methylphenyl)-18-N-(4-methylphenyl)-12-phenyl-5-N-[4-(trifluoromethyl)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;4-N,13-N-di(dibenzofuran-3-yl)-4-N,13-N-bis(2,4-dimethylphenyl)-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;6-N,15-N-di(dibenzothiophen-4-yl)-6-N,15-N-bis(3-fluorophenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.018,23]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,15-diamine;5-N,18-N-di(dibenzothiophen-3-yl)-5-N,18-N-bis(2-methylphenyl)-11-(2,3,4,5,6-pentadeuteriophenyl)-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;3-[[7-[(3-isocyanophenyl)-(6-trimethylsilyldibenzofuran-4-yl)methyl]-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-undecaen-20-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;5-N-(6-methyldibenzofuran-4-yl)-5-N,18-N-bis(2-methylphenyl)-18-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]-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
• PubChem CID: 161125160
• Molecular Formula: C377H250F5N19O6S4Si
• Molecular Weight: 5401.67 g/mol
• Exact Mass: 5396.89
• IUPAC Name: 5-N,18-N-bis(3-methylphenyl)-18-N-(4-methylphenyl)-12-phenyl-5-N-[4-(trifluoromethyl)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;4-N,13-N-di(dibenzofuran-3-yl)-4-N,13-N-bis(2,4-dimethylphenyl)-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;6-N,15-N-di(dibenzothiophen-4-yl)-6-N,15-N-bis(3-fluorophenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.018,23]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,15-diamine;5-N,18-N-di(dibenzothiophen-3-yl)-5-N,18-N-bis(2-methylphenyl)-11-(2,3,4,5,6-pentadeuteriophenyl)-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;3-[[7-[(3-isocyanophenyl)-(6-trimethylsilyldibenzofuran-4-yl)methyl]-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-undecaen-20-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;5-N-(6-methyldibenzofuran-4-yl)-5-N,18-N-bis(2-methylphenyl)-18-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]-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
• SMILES: Cc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3cc4c5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc(C)cc6C)cc5n5c6cc7ccccc7cc6c(c3c2)c45)c(C)c1.Cc1ccc(N(c2cccc(C)c2)c2ccc3cc4c5ccc(N(c6ccc(C(F)(F)F)cc6)c6cccc(C)c6)cc5n5c6ccc(-c7ccccc7)cc6c(c3c2)c45)cc1.Fc1cccc(N(c2ccc3cc4c5ccc(N(c6cccc(F)c6)c6cccc7c6sc6ccccc67)c6c7c8ccccc8ccc7n(c4cc3c2)c56)c2cccc3c2sc2ccccc23)c1.[2H]C([2H])([2H])c1cccc2c1oc1c(N(c3ccc4cc5c6ccc(N(c7ccccc7C)c7cccc8c7oc7c(C)cccc78)cc6n6c7ccccc7c(c4c3)c56)c3ccccc3C)cccc12.[2H]c1c([2H])c([2H])c(-c2ccc3c4c5cc(N(c6ccc7c(c6)sc6ccccc67)c6ccccc6C)ccc5cc5c6ccc(N(c7ccc8c(c7)sc7ccccc78)c7ccccc7C)cc6n(c3c2)c54)c([2H])c1[2H].[C-]#[N+]c1cccc(C(c2ccc3cc4c5ccc(N(c6cccc(C#N)c6)c6cccc7c6oc6c(C)cccc67)c6c7ccccc7n(c4cc3c2)c56)c2cccc3c2oc2c([Si](C)(C)C)cccc23)c1
• InChI: InChI=1S/C66H45N3O2.C66H43N3S2.C65H44N4O2Si.C62H35F2N3S2.C62H43N3O2.C56H40F3N3/c1-38-17-27-57(40(3)29-38)67(47-22-25-52-50-13-7-9-15-61(50)70-63(52)36-47)45-20-19-44-32-55-49-24-21-46(35-60(49)69-59-33-43-12-6-5-11-42(43)31-56(59)65(66(55)69)54(44)34-45)68(58-28-18-39(2)30-41(58)4)48-23-26-53-51-14-8-10-16-62(51)71-64(53)37-48;1-40-14-6-10-20-57(40)67(47-28-32-52-50-18-8-12-22-61(50)70-63(52)38-47)45-26-24-44-34-56-49-31-27-46(68(58-21-11-7-15-41(58)2)48-29-33-53-51-19-9-13-23-62(51)71-64(53)39-48)37-60(49)69-59-35-43(42-16-4-3-5-17-42)25-30-54(59)65(66(56)69)55(44)36-45;1-38-14-8-20-47-49-22-12-26-56(64(49)70-62(38)47)68(45-18-9-15-39(32-45)37-66)55-31-30-46-53-35-40-28-29-42(33-43(40)36-57(53)69-54-25-7-6-19-51(54)60(55)61(46)69)59(41-16-10-17-44(34-41)67-2)52-24-11-21-48-50-23-13-27-58(72(3,4)5)65(50)71-63(48)52;63-39-12-7-14-41(34-39)65(53-21-9-19-48-45-17-3-5-23-56(45)68-61(48)53)43-27-25-37-32-50-47-28-30-52(59-58-44-16-2-1-11-36(44)26-29-51(58)67(60(47)59)55(50)33-38(37)31-43)66(42-15-8-13-40(64)35-42)54-22-10-20-49-46-18-4-6-24-57(46)69-62(49)54;1-36-15-5-8-24-51(36)63(54-27-13-22-46-44-20-11-17-38(3)59(44)66-61(46)54)41-30-29-40-33-50-43-32-31-42(35-56(43)65-53-26-10-7-19-48(53)57(58(50)65)49(40)34-41)64(52-25-9-6-16-37(52)2)55-28-14-23-47-45-21-12-18-39(4)60(45)67-62(47)55;1-35-15-21-42(22-16-35)60(44-13-7-9-36(2)29-44)46-23-17-40-32-50-48-27-26-47(61(45-14-8-10-37(3)30-45)43-24-19-41(20-25-43)56(57,58)59)34-53(48)62-52-28-18-39(38-11-5-4-6-12-38)31-51(52)54(55(50)62)49(40)33-46/h5-37H,1-4H3;3-39H,1-2H3;6-36,59H,1,3-5H3;1-35H;5-35H,1-4H3;4-34H,1-3H3/i;3D,4D,5D,16D,17D;;;3D3
• InChIKey: ULLSSPGQLORAJH-SQQXLJQOSA-N
• XLogP: 110.38
• TPSA: 169.09 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 412
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5401.67
LogP ≤ 5	110.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-N,18-N-bis(3-methylphenyl)-18-N-(4-methylphenyl)-12-phenyl-5-N-[4-(trifluoromethyl)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;4-N,13-N-di(dibenzofuran-3-yl)-4-N,13-N-bis(2,4-dimethylphenyl)-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;6-N,15-N-di(dibenzothiophen-4-yl)-6-N,15-N-bis(3-fluorophenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.018,23]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,15-diamine;5-N,18-N-di(dibenzothiophen-3-yl)-5-N,18-N-bis(2-methylphenyl)-11-(2,3,4,5,6-pentadeuteriophenyl)-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;3-[[7-[(3-isocyanophenyl)-(6-trimethylsilyldibenzofuran-4-yl)methyl]-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-undecaen-20-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;5-N-(6-methyldibenzofuran-4-yl)-5-N,18-N-bis(2-methylphenyl)-18-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]-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?

The IUPAC name of 5-N,18-N-bis(3-methylphenyl)-18-N-(4-methylphenyl)-12-phenyl-5-N-[4-(trifluoromethyl)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;4-N,13-N-di(dibenzofuran-3-yl)-4-N,13-N-bis(2,4-dimethylphenyl)-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;6-N,15-N-di(dibenzothiophen-4-yl)-6-N,15-N-bis(3-fluorophenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.018,23]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,15-diamine;5-N,18-N-di(dibenzothiophen-3-yl)-5-N,18-N-bis(2-methylphenyl)-11-(2,3,4,5,6-pentadeuteriophenyl)-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;3-[[7-[(3-isocyanophenyl)-(6-trimethylsilyldibenzofuran-4-yl)methyl]-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-undecaen-20-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;5-N-(6-methyldibenzofuran-4-yl)-5-N,18-N-bis(2-methylphenyl)-18-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]-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 (CID 161125160) is 5-N,18-N-bis(3-methylphenyl)-18-N-(4-methylphenyl)-12-phenyl-5-N-[4-(trifluoromethyl)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;4-N,13-N-di(dibenzofuran-3-yl)-4-N,13-N-bis(2,4-dimethylphenyl)-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;6-N,15-N-di(dibenzothiophen-4-yl)-6-N,15-N-bis(3-fluorophenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.018,23]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,15-diamine;5-N,18-N-di(dibenzothiophen-3-yl)-5-N,18-N-bis(2-methylphenyl)-11-(2,3,4,5,6-pentadeuteriophenyl)-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;3-[[7-[(3-isocyanophenyl)-(6-trimethylsilyldibenzofuran-4-yl)methyl]-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-undecaen-20-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;5-N-(6-methyldibenzofuran-4-yl)-5-N,18-N-bis(2-methylphenyl)-18-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]-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.

What is the SMILES notation for 5-N,18-N-bis(3-methylphenyl)-18-N-(4-methylphenyl)-12-phenyl-5-N-[4-(trifluoromethyl)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;4-N,13-N-di(dibenzofuran-3-yl)-4-N,13-N-bis(2,4-dimethylphenyl)-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;6-N,15-N-di(dibenzothiophen-4-yl)-6-N,15-N-bis(3-fluorophenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.018,23]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,15-diamine;5-N,18-N-di(dibenzothiophen-3-yl)-5-N,18-N-bis(2-methylphenyl)-11-(2,3,4,5,6-pentadeuteriophenyl)-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;3-[[7-[(3-isocyanophenyl)-(6-trimethylsilyldibenzofuran-4-yl)methyl]-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-undecaen-20-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;5-N-(6-methyldibenzofuran-4-yl)-5-N,18-N-bis(2-methylphenyl)-18-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]-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?

The canonical SMILES for 5-N,18-N-bis(3-methylphenyl)-18-N-(4-methylphenyl)-12-phenyl-5-N-[4-(trifluoromethyl)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;4-N,13-N-di(dibenzofuran-3-yl)-4-N,13-N-bis(2,4-dimethylphenyl)-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;6-N,15-N-di(dibenzothiophen-4-yl)-6-N,15-N-bis(3-fluorophenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.018,23]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,15-diamine;5-N,18-N-di(dibenzothiophen-3-yl)-5-N,18-N-bis(2-methylphenyl)-11-(2,3,4,5,6-pentadeuteriophenyl)-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;3-[[7-[(3-isocyanophenyl)-(6-trimethylsilyldibenzofuran-4-yl)methyl]-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-undecaen-20-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;5-N-(6-methyldibenzofuran-4-yl)-5-N,18-N-bis(2-methylphenyl)-18-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]-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 is Cc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3cc4c5ccc(N(c6ccc7c(c6)oc6ccccc67)c6ccc(C)cc6C)cc5n5c6cc7ccccc7cc6c(c3c2)c45)c(C)c1.Cc1ccc(N(c2cccc(C)c2)c2ccc3cc4c5ccc(N(c6ccc(C(F)(F)F)cc6)c6cccc(C)c6)cc5n5c6ccc(-c7ccccc7)cc6c(c3c2)c45)cc1.Fc1cccc(N(c2ccc3cc4c5ccc(N(c6cccc(F)c6)c6cccc7c6sc6ccccc67)c6c7c8ccccc8ccc7n(c4cc3c2)c56)c2cccc3c2sc2ccccc23)c1.[2H]C([2H])([2H])c1cccc2c1oc1c(N(c3ccc4cc5c6ccc(N(c7ccccc7C)c7cccc8c7oc7c(C)cccc78)cc6n6c7ccccc7c(c4c3)c56)c3ccccc3C)cccc12.[2H]c1c([2H])c([2H])c(-c2ccc3c4c5cc(N(c6ccc7c(c6)sc6ccccc67)c6ccccc6C)ccc5cc5c6ccc(N(c7ccc8c(c7)sc7ccccc78)c7ccccc7C)cc6n(c3c2)c54)c([2H])c1[2H].[C-]#[N+]c1cccc(C(c2ccc3cc4c5ccc(N(c6cccc(C#N)c6)c6cccc7c6oc6c(C)cccc67)c6c7ccccc7n(c4cc3c2)c56)c2cccc3c2oc2c([Si](C)(C)C)cccc23)c1.

What is the InChIKey of 5-N,18-N-bis(3-methylphenyl)-18-N-(4-methylphenyl)-12-phenyl-5-N-[4-(trifluoromethyl)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;4-N,13-N-di(dibenzofuran-3-yl)-4-N,13-N-bis(2,4-dimethylphenyl)-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;6-N,15-N-di(dibenzothiophen-4-yl)-6-N,15-N-bis(3-fluorophenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.018,23]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,15-diamine;5-N,18-N-di(dibenzothiophen-3-yl)-5-N,18-N-bis(2-methylphenyl)-11-(2,3,4,5,6-pentadeuteriophenyl)-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;3-[[7-[(3-isocyanophenyl)-(6-trimethylsilyldibenzofuran-4-yl)methyl]-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-undecaen-20-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;5-N-(6-methyldibenzofuran-4-yl)-5-N,18-N-bis(2-methylphenyl)-18-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]-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?

The InChIKey is ULLSSPGQLORAJH-SQQXLJQOSA-N. The full InChI is InChI=1S/C66H45N3O2.C66H43N3S2.C65H44N4O2Si.C62H35F2N3S2.C62H43N3O2.C56H40F3N3/c1-38-17-27-57(40(3)29-38)67(47-22-25-52-50-13-7-9-15-61(50)70-63(52)36-47)45-20-19-44-32-55-49-24-21-46(35-60(49)69-59-33-43-12-6-5-11-42(43)31-56(59)65(66(55)69)54(44)34-45)68(58-28-18-39(2)30-41(58)4)48-23-26-53-51-14-8-10-16-62(51)71-64(53)37-48;1-40-14-6-10-20-57(40)67(47-28-32-52-50-18-8-12-22-61(50)70-63(52)38-47)45-26-24-44-34-56-49-31-27-46(68(58-21-11-7-15-41(58)2)48-29-33-53-51-19-9-13-23-62(51)71-64(53)39-48)37-60(49)69-59-35-43(42-16-4-3-5-17-42)25-30-54(59)65(66(56)69)55(44)36-45;1-38-14-8-20-47-49-22-12-26-56(64(49)70-62(38)47)68(45-18-9-15-39(32-45)37-66)55-31-30-46-53-35-40-28-29-42(33-43(40)36-57(53)69-54-25-7-6-19-51(54)60(55)61(46)69)59(41-16-10-17-44(34-41)67-2)52-24-11-21-48-50-23-13-27-58(72(3,4)5)65(50)71-63(48)52;63-39-12-7-14-41(34-39)65(53-21-9-19-48-45-17-3-5-23-56(45)68-61(48)53)43-27-25-37-32-50-47-28-30-52(59-58-44-16-2-1-11-36(44)26-29-51(58)67(60(47)59)55(50)33-38(37)31-43)66(42-15-8-13-40(64)35-42)54-22-10-20-49-46-18-4-6-24-57(46)69-62(49)54;1-36-15-5-8-24-51(36)63(54-27-13-22-46-44-20-11-17-38(3)59(44)66-61(46)54)41-30-29-40-33-50-43-32-31-42(35-56(43)65-53-26-10-7-19-48(53)57(58(50)65)49(40)34-41)64(52-25-9-6-16-37(52)2)55-28-14-23-47-45-21-12-18-39(4)60(45)67-62(47)55;1-35-15-21-42(22-16-35)60(44-13-7-9-36(2)29-44)46-23-17-40-32-50-48-27-26-47(61(45-14-8-10-37(3)30-45)43-24-19-41(20-25-43)56(57,58)59)34-53(48)62-52-28-18-39(38-11-5-4-6-12-38)31-51(52)54(55(50)62)49(40)33-46/h5-37H,1-4H3;3-39H,1-2H3;6-36,59H,1,3-5H3;1-35H;5-35H,1-4H3;4-34H,1-3H3/i;3D,4D,5D,16D,17D;;;3D3;.

What are the key properties of 5-N,18-N-bis(3-methylphenyl)-18-N-(4-methylphenyl)-12-phenyl-5-N-[4-(trifluoromethyl)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;4-N,13-N-di(dibenzofuran-3-yl)-4-N,13-N-bis(2,4-dimethylphenyl)-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;6-N,15-N-di(dibenzothiophen-4-yl)-6-N,15-N-bis(3-fluorophenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.018,23]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,15-diamine;5-N,18-N-di(dibenzothiophen-3-yl)-5-N,18-N-bis(2-methylphenyl)-11-(2,3,4,5,6-pentadeuteriophenyl)-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;3-[[7-[(3-isocyanophenyl)-(6-trimethylsilyldibenzofuran-4-yl)methyl]-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-undecaen-20-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;5-N-(6-methyldibenzofuran-4-yl)-5-N,18-N-bis(2-methylphenyl)-18-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]-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?

5-N,18-N-bis(3-methylphenyl)-18-N-(4-methylphenyl)-12-phenyl-5-N-[4-(trifluoromethyl)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;4-N,13-N-di(dibenzofuran-3-yl)-4-N,13-N-bis(2,4-dimethylphenyl)-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;6-N,15-N-di(dibenzothiophen-4-yl)-6-N,15-N-bis(3-fluorophenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.018,23]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,15-diamine;5-N,18-N-di(dibenzothiophen-3-yl)-5-N,18-N-bis(2-methylphenyl)-11-(2,3,4,5,6-pentadeuteriophenyl)-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;3-[[7-[(3-isocyanophenyl)-(6-trimethylsilyldibenzofuran-4-yl)methyl]-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-undecaen-20-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;5-N-(6-methyldibenzofuran-4-yl)-5-N,18-N-bis(2-methylphenyl)-18-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]-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 has a molecular weight of 5401.67 g/mol, XLogP of 110.38, 40 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,18-N-bis(3-methylphenyl)-18-N-(4-methylphenyl)-12-phenyl-5-N-[4-(trifluoromethyl)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;4-N,13-N-di(dibenzofuran-3-yl)-4-N,13-N-bis(2,4-dimethylphenyl)-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;6-N,15-N-di(dibenzothiophen-4-yl)-6-N,15-N-bis(3-fluorophenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.018,23]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,15-diamine;5-N,18-N-di(dibenzothiophen-3-yl)-5-N,18-N-bis(2-methylphenyl)-11-(2,3,4,5,6-pentadeuteriophenyl)-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;3-[[7-[(3-isocyanophenyl)-(6-trimethylsilyldibenzofuran-4-yl)methyl]-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-undecaen-20-yl]-(6-methyldibenzofuran-4-yl)amino]benzonitrile;5-N-(6-methyldibenzofuran-4-yl)-5-N,18-N-bis(2-methylphenyl)-18-N-[6-(trideuteriomethyl)dibenzofuran-4-yl]-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 is sourced from PubChem (CID 161125160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).