23-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;3,5-bis(trifluoromethyl)-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6-difluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;11,11-dimethyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1,3,5,7,9,12,14,16,18,20,22,24-dodecaene;11,11-dimethyl-24-phenyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1(25),2,4(12),5,7,9,13,15,17,19,21,23-dodecaene;4-methyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,9,11,16-tetramethyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;5-thia-17-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-1(18),2(6),3,7,9,11,13,15-octaene;4,6,10-trifluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene

C213H133F11N10S — CID 159474784

IUPAC23-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;3,5-bis(trifluoromethyl)-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6-difluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;11,11-dimethyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1,3,5,7,9,12,14,16,18,20,22,24-dodecaene;11,11-dimethyl-24-phenyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1(25),2,4(12),5,7,9,13,15,17,19,21,23-dodecaene;4-methyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,9,11,16-tetramethyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;5-thia-17-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-1(18),2(6),3,7,9,11,13,15-octaene;4,6,10-trifluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cccc2c4cccc(-c5ccccc5)c4c3n12.CC1(C)c2ccccc2-c2cc3c(cc21)c1cccc2c4ccccc4c3n21.Cc1ccc2c(c1)c1c3cc(C)ccc3c3c(C)cc(C)c2n31.Cc1ccc2c(c1)c1c3ccccc3c3cccc2n31.FC(F)(F)c1cc(C(F)(F)F)c2c(c1)c1cccc3c4ccccc4c2n31.Fc1cc(F)c2c(c1)c1c3ccccc3c3cc(F)cc2n31.Fc1cc(F)c2c(c1)c1c3ccccc3c3cccc2n31.c1cc2c3c(n4ccccc4c3c1)-c1ccsc1-2.c1ccc2c(c1)c1cccc3c4ccccc4c2n13.c1ccc2c(c1)cc1c3ccccc3c3c4ccccc4c2n13
InChIInChI=1S/C33H23N.C27H19N.C22H13N.C22H19N.C20H9F6N.C19H13N.C18H8F3N.C18H9F2N.C18H11N.C16H9NS/c1-33(2)27-15-7-6-12-22(27)24-18-26-25(19-28(24)33)30-17-9-16-29-23-14-8-13-21(20-10-4-3-5-11-20)31(23)32(26)34(29)30;1-27(2)22-11-6-5-8-16(22)19-14-21-20(15-23(19)27)25-13-7-12-24-17-9-3-4-10-18(17)26(21)28(24)25;1-2-8-15-14(7-1)13-20-16-9-3-4-10-17(16)22-19-12-6-5-11-18(19)21(15)23(20)22;1-12-5-7-16-18(9-12)22-19-10-13(2)6-8-17(19)21-15(4)11-14(3)20(16)23(21)22;21-19(22,23)10-8-13-16-7-3-6-15-11-4-1-2-5-12(11)18(27(15)16)17(13)14(9-10)20(24,25)26;1-12-9-10-14-16(11-12)19-15-6-3-2-5-13(15)17-7-4-8-18(14)20(17)19;19-9-5-13-17(14(21)6-9)16-8-10(20)7-15-11-3-1-2-4-12(11)18(13)22(15)16;19-10-8-13-17(14(20)9-10)16-7-3-6-15-11-4-1-2-5-12(11)18(13)21(15)16;1-3-8-14-12(6-1)16-10-5-11-17-13-7-2-4-9-15(13)18(14)19(16)17;1-2-8-17-13(6-1)10-4-3-5-11-14(10)15(17)12-7-9-18-16(11)12/h3-19H,1-2H3;3-15H,1-2H3;1-13H;5-11H,1-4H3;1-9H;2-11H,1H3;1-8H;1-9H;1-11H;1-9H
InChIKeyLWFZRYKLGSHDIX-UHFFFAOYSA-N
MW3073.52 g/mol
LogP60.04
Rot. Bonds1

About 23-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;3,5-bis(trifluoromethyl)-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6-difluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;11,11-dimethyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1,3,5,7,9,12,14,16,18,20,22,24-dodecaene;11,11-dimethyl-24-phenyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1(25),2,4(12),5,7,9,13,15,17,19,21,23-dodecaene;4-methyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,9,11,16-tetramethyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;5-thia-17-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-1(18),2(6),3,7,9,11,13,15-octaene;4,6,10-trifluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene

23-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;3,5-bis(trifluoromethyl)-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6-difluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;11,11-dimethyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1,3,5,7,9,12,14,16,18,20,22,24-dodecaene;11,11-dimethyl-24-phenyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1(25),2,4(12),5,7,9,13,15,17,19,21,23-dodecaene;4-methyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,9,11,16-tetramethyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;5-thia-17-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-1(18),2(6),3,7,9,11,13,15-octaene;4,6,10-trifluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene (PubChem CID 159474784) has the molecular formula C213H133F11N10S and a molecular weight of 3073.52 g/mol. Its IUPAC name is 23-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;3,5-bis(trifluoromethyl)-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6-difluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;11,11-dimethyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1,3,5,7,9,12,14,16,18,20,22,24-dodecaene;11,11-dimethyl-24-phenyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1(25),2,4(12),5,7,9,13,15,17,19,21,23-dodecaene;4-methyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,9,11,16-tetramethyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;5-thia-17-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-1(18),2(6),3,7,9,11,13,15-octaene;4,6,10-trifluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene.

Molecular Properties

Compound Name23-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;3,5-bis(trifluoromethyl)-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6-difluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;11,11-dimethyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1,3,5,7,9,12,14,16,18,20,22,24-dodecaene;11,11-dimethyl-24-phenyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1(25),2,4(12),5,7,9,13,15,17,19,21,23-dodecaene;4-methyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,9,11,16-tetramethyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;5-thia-17-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-1(18),2(6),3,7,9,11,13,15-octaene;4,6,10-trifluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
PubChem CID159474784
Molecular FormulaC213H133F11N10S
Molecular Weight3073.52 g/mol
Exact Mass3071.03
IUPAC Name23-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;3,5-bis(trifluoromethyl)-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6-difluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;11,11-dimethyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1,3,5,7,9,12,14,16,18,20,22,24-dodecaene;11,11-dimethyl-24-phenyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1(25),2,4(12),5,7,9,13,15,17,19,21,23-dodecaene;4-methyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,9,11,16-tetramethyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;5-thia-17-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-1(18),2(6),3,7,9,11,13,15-octaene;4,6,10-trifluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cccc2c4cccc(-c5ccccc5)c4c3n12.CC1(C)c2ccccc2-c2cc3c(cc21)c1cccc2c4ccccc4c3n21.Cc1ccc2c(c1)c1c3cc(C)ccc3c3c(C)cc(C)c2n31.Cc1ccc2c(c1)c1c3ccccc3c3cccc2n31.FC(F)(F)c1cc(C(F)(F)F)c2c(c1)c1cccc3c4ccccc4c2n31.Fc1cc(F)c2c(c1)c1c3ccccc3c3cc(F)cc2n31.Fc1cc(F)c2c(c1)c1c3ccccc3c3cccc2n31.c1cc2c3c(n4ccccc4c3c1)-c1ccsc1-2.c1ccc2c(c1)c1cccc3c4ccccc4c2n13.c1ccc2c(c1)cc1c3ccccc3c3c4ccccc4c2n13
InChIInChI=1S/C33H23N.C27H19N.C22H13N.C22H19N.C20H9F6N.C19H13N.C18H8F3N.C18H9F2N.C18H11N.C16H9NS/c1-33(2)27-15-7-6-12-22(27)24-18-26-25(19-28(24)33)30-17-9-16-29-23-14-8-13-21(20-10-4-3-5-11-20)31(23)32(26)34(29)30;1-27(2)22-11-6-5-8-16(22)19-14-21-20(15-23(19)27)25-13-7-12-24-17-9-3-4-10-18(17)26(21)28(24)25;1-2-8-15-14(7-1)13-20-16-9-3-4-10-17(16)22-19-12-6-5-11-18(19)21(15)23(20)22;1-12-5-7-16-18(9-12)22-19-10-13(2)6-8-17(19)21-15(4)11-14(3)20(16)23(21)22;21-19(22,23)10-8-13-16-7-3-6-15-11-4-1-2-5-12(11)18(27(15)16)17(13)14(9-10)20(24,25)26;1-12-9-10-14-16(11-12)19-15-6-3-2-5-13(15)17-7-4-8-18(14)20(17)19;19-9-5-13-17(14(21)6-9)16-8-10(20)7-15-11-3-1-2-4-12(11)18(13)22(15)16;19-10-8-13-17(14(20)9-10)16-7-3-6-15-11-4-1-2-5-12(11)18(13)21(15)16;1-3-8-14-12(6-1)16-10-5-11-17-13-7-2-4-9-15(13)18(14)19(16)17;1-2-8-17-13(6-1)10-4-3-5-11-14(10)15(17)12-7-9-18-16(11)12/h3-19H,1-2H3;3-15H,1-2H3;1-13H;5-11H,1-4H3;1-9H;2-11H,1H3;1-8H;1-9H;1-11H;1-9H
InChIKeyLWFZRYKLGSHDIX-UHFFFAOYSA-N
XLogP60.04
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds1
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003073.52
LogP ≤ 560.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 23-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;3,5-bis(trifluoromethyl)-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6-difluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;11,11-dimethyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1,3,5,7,9,12,14,16,18,20,22,24-dodecaene;11,11-dimethyl-24-phenyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1(25),2,4(12),5,7,9,13,15,17,19,21,23-dodecaene;4-methyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,9,11,16-tetramethyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;5-thia-17-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-1(18),2(6),3,7,9,11,13,15-octaene;4,6,10-trifluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 23-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;3,5-bis(trifluoromethyl)-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6-difluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;11,11-dimethyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1,3,5,7,9,12,14,16,18,20,22,24-dodecaene;11,11-dimethyl-24-phenyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1(25),2,4(12),5,7,9,13,15,17,19,21,23-dodecaene;4-methyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,9,11,16-tetramethyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;5-thia-17-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-1(18),2(6),3,7,9,11,13,15-octaene;4,6,10-trifluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene?
The IUPAC name of 23-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;3,5-bis(trifluoromethyl)-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6-difluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;11,11-dimethyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1,3,5,7,9,12,14,16,18,20,22,24-dodecaene;11,11-dimethyl-24-phenyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1(25),2,4(12),5,7,9,13,15,17,19,21,23-dodecaene;4-methyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,9,11,16-tetramethyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;5-thia-17-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-1(18),2(6),3,7,9,11,13,15-octaene;4,6,10-trifluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene (CID 159474784) is 23-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;3,5-bis(trifluoromethyl)-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6-difluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;11,11-dimethyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1,3,5,7,9,12,14,16,18,20,22,24-dodecaene;11,11-dimethyl-24-phenyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1(25),2,4(12),5,7,9,13,15,17,19,21,23-dodecaene;4-methyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,9,11,16-tetramethyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;5-thia-17-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-1(18),2(6),3,7,9,11,13,15-octaene;4,6,10-trifluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene.
What is the SMILES notation for 23-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;3,5-bis(trifluoromethyl)-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6-difluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;11,11-dimethyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1,3,5,7,9,12,14,16,18,20,22,24-dodecaene;11,11-dimethyl-24-phenyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1(25),2,4(12),5,7,9,13,15,17,19,21,23-dodecaene;4-methyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,9,11,16-tetramethyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;5-thia-17-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-1(18),2(6),3,7,9,11,13,15-octaene;4,6,10-trifluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene?
The canonical SMILES for 23-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;3,5-bis(trifluoromethyl)-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6-difluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;11,11-dimethyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1,3,5,7,9,12,14,16,18,20,22,24-dodecaene;11,11-dimethyl-24-phenyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1(25),2,4(12),5,7,9,13,15,17,19,21,23-dodecaene;4-methyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,9,11,16-tetramethyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;5-thia-17-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-1(18),2(6),3,7,9,11,13,15-octaene;4,6,10-trifluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene is CC1(C)c2ccccc2-c2cc3c(cc21)c1cccc2c4cccc(-c5ccccc5)c4c3n12.CC1(C)c2ccccc2-c2cc3c(cc21)c1cccc2c4ccccc4c3n21.Cc1ccc2c(c1)c1c3cc(C)ccc3c3c(C)cc(C)c2n31.Cc1ccc2c(c1)c1c3ccccc3c3cccc2n31.FC(F)(F)c1cc(C(F)(F)F)c2c(c1)c1cccc3c4ccccc4c2n31.Fc1cc(F)c2c(c1)c1c3ccccc3c3cc(F)cc2n31.Fc1cc(F)c2c(c1)c1c3ccccc3c3cccc2n31.c1cc2c3c(n4ccccc4c3c1)-c1ccsc1-2.c1ccc2c(c1)c1cccc3c4ccccc4c2n13.c1ccc2c(c1)cc1c3ccccc3c3c4ccccc4c2n13.
What is the InChIKey of 23-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;3,5-bis(trifluoromethyl)-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6-difluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;11,11-dimethyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1,3,5,7,9,12,14,16,18,20,22,24-dodecaene;11,11-dimethyl-24-phenyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1(25),2,4(12),5,7,9,13,15,17,19,21,23-dodecaene;4-methyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,9,11,16-tetramethyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;5-thia-17-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-1(18),2(6),3,7,9,11,13,15-octaene;4,6,10-trifluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene?
The InChIKey is LWFZRYKLGSHDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N.C27H19N.C22H13N.C22H19N.C20H9F6N.C19H13N.C18H8F3N.C18H9F2N.C18H11N.C16H9NS/c1-33(2)27-15-7-6-12-22(27)24-18-26-25(19-28(24)33)30-17-9-16-29-23-14-8-13-21(20-10-4-3-5-11-20)31(23)32(26)34(29)30;1-27(2)22-11-6-5-8-16(22)19-14-21-20(15-23(19)27)25-13-7-12-24-17-9-3-4-10-18(17)26(21)28(24)25;1-2-8-15-14(7-1)13-20-16-9-3-4-10-17(16)22-19-12-6-5-11-18(19)21(15)23(20)22;1-12-5-7-16-18(9-12)22-19-10-13(2)6-8-17(19)21-15(4)11-14(3)20(16)23(21)22;21-19(22,23)10-8-13-16-7-3-6-15-11-4-1-2-5-12(11)18(27(15)16)17(13)14(9-10)20(24,25)26;1-12-9-10-14-16(11-12)19-15-6-3-2-5-13(15)17-7-4-8-18(14)20(17)19;19-9-5-13-17(14(21)6-9)16-8-10(20)7-15-11-3-1-2-4-12(11)18(13)22(15)16;19-10-8-13-17(14(20)9-10)16-7-3-6-15-11-4-1-2-5-12(11)18(13)21(15)16;1-3-8-14-12(6-1)16-10-5-11-17-13-7-2-4-9-15(13)18(14)19(16)17;1-2-8-17-13(6-1)10-4-3-5-11-14(10)15(17)12-7-9-18-16(11)12/h3-19H,1-2H3;3-15H,1-2H3;1-13H;5-11H,1-4H3;1-9H;2-11H,1H3;1-8H;1-9H;1-11H;1-9H.
What are the key properties of 23-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;3,5-bis(trifluoromethyl)-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6-difluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;11,11-dimethyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1,3,5,7,9,12,14,16,18,20,22,24-dodecaene;11,11-dimethyl-24-phenyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1(25),2,4(12),5,7,9,13,15,17,19,21,23-dodecaene;4-methyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,9,11,16-tetramethyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;5-thia-17-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-1(18),2(6),3,7,9,11,13,15-octaene;4,6,10-trifluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene?
23-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;3,5-bis(trifluoromethyl)-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6-difluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;11,11-dimethyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1,3,5,7,9,12,14,16,18,20,22,24-dodecaene;11,11-dimethyl-24-phenyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1(25),2,4(12),5,7,9,13,15,17,19,21,23-dodecaene;4-methyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,9,11,16-tetramethyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;5-thia-17-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-1(18),2(6),3,7,9,11,13,15-octaene;4,6,10-trifluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene has a molecular weight of 3073.52 g/mol, XLogP of 60.04, 1 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 23-azahexacyclo[13.7.1.02,7.08,23.09,14.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;3,5-bis(trifluoromethyl)-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,6-difluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;11,11-dimethyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1,3,5,7,9,12,14,16,18,20,22,24-dodecaene;11,11-dimethyl-24-phenyl-26-azaheptacyclo[13.10.1.02,14.04,12.05,10.019,26.020,25]hexacosa-1(25),2,4(12),5,7,9,13,15,17,19,21,23-dodecaene;4-methyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene;4,9,11,16-tetramethyl-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene;5-thia-17-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-1(18),2(6),3,7,9,11,13,15-octaene;4,6,10-trifluoro-19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene is sourced from PubChem (CID 159474784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).