3,30-diphenyl-5,21,32,48-tetrazaheptadecacyclo[30.22.1.15,24.110,14.137,41.02,31.04,29.06,23.09,22.015,20.033,50.036,49.042,47.051,55.021,58.028,57.048,56]octapentaconta-1(54),2,4(29),6(23),7,9(22),10,12,14(58),15,17,19,24(57),25,27,30,33(50),34,36(49),37,39,41(56),42,44,46,51(55),52-heptacosaene;5,8,32,35-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.07,20.09,14.033,50.034,47.036,41.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),9,11,13,15(58),16,18,21,24(57),25,27,30,33(50),34(47),36,38,40,42(56),43,45,48,51(55),52-heptacosaene;5,9,32,48-tetrazaheptadecacyclo[30.22.1.15,24.19,16.137,41.02,31.04,29.06,23.08,21.010,15.033,50.036,49.042,47.051,55.020,58.028,57.048,56]octapentaconta-1(55),2(31),3,6(23),7,10,12,14,16(58),17,19,21,24(57),25,27,29,33(50),34,36(49),37,39,41(56),42,44,46,51,53-heptacosaene;5,19,32,46-tetrazaheptadecacyclo[30.22.1.15,24.18,12.135,39.02,31.04,29.06,23.07,20.013,18.033,50.034,47.040,45.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),8,10,12(58),13,15,17,21,24(57),25,27,30,33(50),34(47),35,37,39(56),40,42,44,48,51(55),52-heptacosaene;5,20,32,47-tetrazaheptadecacyclo[30.22.1.15,24.19,13.136,40.02,31.04,29.06,23.08,21.014,19.033,50.035,48.041,46.051,55.020,58.028,57.047,56]octapentaconta-1(54),2,4(29),6,8(21),9,11,13(58),14,16,18,22,24(57),25,27,30,33,35(48),36,38,40(56),41,43,45,49,51(55),52-heptacosaene

C282H138N20 — CID 158190062

IUPAC3,30-diphenyl-5,21,32,48-tetrazaheptadecacyclo[30.22.1.15,24.110,14.137,41.02,31.04,29.06,23.09,22.015,20.033,50.036,49.042,47.051,55.021,58.028,57.048,56]octapentaconta-1(54),2,4(29),6(23),7,9(22),10,12,14(58),15,17,19,24(57),25,27,30,33(50),34,36(49),37,39,41(56),42,44,46,51(55),52-heptacosaene;5,8,32,35-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.07,20.09,14.033,50.034,47.036,41.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),9,11,13,15(58),16,18,21,24(57),25,27,30,33(50),34(47),36,38,40,42(56),43,45,48,51(55),52-heptacosaene;5,9,32,48-tetrazaheptadecacyclo[30.22.1.15,24.19,16.137,41.02,31.04,29.06,23.08,21.010,15.033,50.036,49.042,47.051,55.020,58.028,57.048,56]octapentaconta-1(55),2(31),3,6(23),7,10,12,14,16(58),17,19,21,24(57),25,27,29,33(50),34,36(49),37,39,41(56),42,44,46,51,53-heptacosaene;5,19,32,46-tetrazaheptadecacyclo[30.22.1.15,24.18,12.135,39.02,31.04,29.06,23.07,20.013,18.033,50.034,47.040,45.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),8,10,12(58),13,15,17,21,24(57),25,27,30,33(50),34(47),35,37,39(56),40,42,44,48,51(55),52-heptacosaene;5,20,32,47-tetrazaheptadecacyclo[30.22.1.15,24.19,13.136,40.02,31.04,29.06,23.08,21.014,19.033,50.035,48.041,46.051,55.020,58.028,57.047,56]octapentaconta-1(54),2,4(29),6,8(21),9,11,13(58),14,16,18,22,24(57),25,27,30,33,35(48),36,38,40(56),41,43,45,49,51(55),52-heptacosaene
SMILESc1ccc(-c2c3c4cccc5c6c(ccc7c8cccc9c%10ccccc%10n(c98)c76)n(c3c(-c3ccccc3)c3c6cccc7c8c(ccc9c%10cccc%11c%12ccccc%12n(c%11%10)c98)n(c23)c67)c45)cc1.c1ccc2c(c1)c1cccc3c4c(ccc5c6cccc7c8cc9c(cc8n(c76)c54)c4cccc5c6ccc7c(c8cccc%10c%11ccccc%11n7c%108)c6n9c45)n2c13.c1ccc2c(c1)c1cccc3c4cc5c(cc4n2c13)c1cccc2c3cc4c(cc3n5c12)c1cccc2c3cc5c(cc3n4c21)c1cccc2c3ccccc3n5c21.c1ccc2c(c1)c1cccc3c4cc5c6cccc7c8cc9c(cc8n(c5cc4n2c13)c76)c1cccc2c3c(ccc4c5cccc6c7ccccc7n(c65)c43)n9c12.c1ccc2c(c1)c1cccc3c4ccc5c6cccc7c8cc9c(cc8n(c76)c5c4n2c13)c1cccc2c3ccc4c5cccc6c7ccccc7n(c65)c4c3n9c12
InChIInChI=1S/C66H34N4.4C54H26N4/c1-3-15-35(16-4-1)53-57-47-27-13-25-45-56-52(34-32-44-42-24-12-22-40-38-20-8-10-30-50(38)68(60(40)42)64(44)56)70(61(45)47)66(57)54(36-17-5-2-6-18-36)58-48-28-14-26-46-55-51(69(62(46)48)65(53)58)33-31-43-41-23-11-21-39-37-19-7-9-29-49(37)67(59(39)41)63(43)55;1-3-19-41-27(9-1)29-11-7-17-37-47-43(55(41)51(29)37)23-21-35-31-13-5-15-33-39-26-46-40(25-45(39)57(49(31)33)53(35)47)34-16-6-14-32-36-22-24-44-48(54(36)58(46)50(32)34)38-18-8-12-30-28-10-2-4-20-42(28)56(44)52(30)38;1-3-19-42-27(9-1)29-11-6-14-32-38-23-39-33-15-7-16-34-40-24-45-41(25-46(40)57(51(33)34)48(39)26-47(38)55(42)50(29)32)35-17-8-18-37-49-44(56(45)53(35)37)22-21-36-31-13-5-12-30-28-10-2-4-20-43(28)58(52(30)31)54(36)49;1-3-19-43-27(9-1)29-11-5-13-31-37-23-47-39(21-45(37)55(43)51(29)31)33-15-7-17-35-41-26-50-42(25-49(41)57(47)53(33)35)36-18-8-16-34-40-22-46-38(24-48(40)58(50)54(34)36)32-14-6-12-30-28-10-2-4-20-44(28)56(46)52(30)32;1-3-19-43-27(9-1)29-11-5-13-31-37-21-23-39-33-15-7-17-35-41-26-46-42(25-45(41)57(49(33)35)53(39)51(37)55(43)47(29)31)36-18-8-16-34-40-24-22-38-32-14-6-12-30-28-10-2-4-20-44(28)56(48(30)32)52(38)54(40)58(46)50(34)36/h1-34H;4*1-26H
InChIKeyFZQHRPSACNVHND-UHFFFAOYSA-N
MW3806.35 g/mol
LogP74.77
Rot. Bonds2

About 3,30-diphenyl-5,21,32,48-tetrazaheptadecacyclo[30.22.1.15,24.110,14.137,41.02,31.04,29.06,23.09,22.015,20.033,50.036,49.042,47.051,55.021,58.028,57.048,56]octapentaconta-1(54),2,4(29),6(23),7,9(22),10,12,14(58),15,17,19,24(57),25,27,30,33(50),34,36(49),37,39,41(56),42,44,46,51(55),52-heptacosaene;5,8,32,35-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.07,20.09,14.033,50.034,47.036,41.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),9,11,13,15(58),16,18,21,24(57),25,27,30,33(50),34(47),36,38,40,42(56),43,45,48,51(55),52-heptacosaene;5,9,32,48-tetrazaheptadecacyclo[30.22.1.15,24.19,16.137,41.02,31.04,29.06,23.08,21.010,15.033,50.036,49.042,47.051,55.020,58.028,57.048,56]octapentaconta-1(55),2(31),3,6(23),7,10,12,14,16(58),17,19,21,24(57),25,27,29,33(50),34,36(49),37,39,41(56),42,44,46,51,53-heptacosaene;5,19,32,46-tetrazaheptadecacyclo[30.22.1.15,24.18,12.135,39.02,31.04,29.06,23.07,20.013,18.033,50.034,47.040,45.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),8,10,12(58),13,15,17,21,24(57),25,27,30,33(50),34(47),35,37,39(56),40,42,44,48,51(55),52-heptacosaene;5,20,32,47-tetrazaheptadecacyclo[30.22.1.15,24.19,13.136,40.02,31.04,29.06,23.08,21.014,19.033,50.035,48.041,46.051,55.020,58.028,57.047,56]octapentaconta-1(54),2,4(29),6,8(21),9,11,13(58),14,16,18,22,24(57),25,27,30,33,35(48),36,38,40(56),41,43,45,49,51(55),52-heptacosaene

3,30-diphenyl-5,21,32,48-tetrazaheptadecacyclo[30.22.1.15,24.110,14.137,41.02,31.04,29.06,23.09,22.015,20.033,50.036,49.042,47.051,55.021,58.028,57.048,56]octapentaconta-1(54),2,4(29),6(23),7,9(22),10,12,14(58),15,17,19,24(57),25,27,30,33(50),34,36(49),37,39,41(56),42,44,46,51(55),52-heptacosaene;5,8,32,35-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.07,20.09,14.033,50.034,47.036,41.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),9,11,13,15(58),16,18,21,24(57),25,27,30,33(50),34(47),36,38,40,42(56),43,45,48,51(55),52-heptacosaene;5,9,32,48-tetrazaheptadecacyclo[30.22.1.15,24.19,16.137,41.02,31.04,29.06,23.08,21.010,15.033,50.036,49.042,47.051,55.020,58.028,57.048,56]octapentaconta-1(55),2(31),3,6(23),7,10,12,14,16(58),17,19,21,24(57),25,27,29,33(50),34,36(49),37,39,41(56),42,44,46,51,53-heptacosaene;5,19,32,46-tetrazaheptadecacyclo[30.22.1.15,24.18,12.135,39.02,31.04,29.06,23.07,20.013,18.033,50.034,47.040,45.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),8,10,12(58),13,15,17,21,24(57),25,27,30,33(50),34(47),35,37,39(56),40,42,44,48,51(55),52-heptacosaene;5,20,32,47-tetrazaheptadecacyclo[30.22.1.15,24.19,13.136,40.02,31.04,29.06,23.08,21.014,19.033,50.035,48.041,46.051,55.020,58.028,57.047,56]octapentaconta-1(54),2,4(29),6,8(21),9,11,13(58),14,16,18,22,24(57),25,27,30,33,35(48),36,38,40(56),41,43,45,49,51(55),52-heptacosaene (PubChem CID 158190062) has the molecular formula C282H138N20 and a molecular weight of 3806.35 g/mol. Its IUPAC name is 3,30-diphenyl-5,21,32,48-tetrazaheptadecacyclo[30.22.1.15,24.110,14.137,41.02,31.04,29.06,23.09,22.015,20.033,50.036,49.042,47.051,55.021,58.028,57.048,56]octapentaconta-1(54),2,4(29),6(23),7,9(22),10,12,14(58),15,17,19,24(57),25,27,30,33(50),34,36(49),37,39,41(56),42,44,46,51(55),52-heptacosaene;5,8,32,35-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.07,20.09,14.033,50.034,47.036,41.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),9,11,13,15(58),16,18,21,24(57),25,27,30,33(50),34(47),36,38,40,42(56),43,45,48,51(55),52-heptacosaene;5,9,32,48-tetrazaheptadecacyclo[30.22.1.15,24.19,16.137,41.02,31.04,29.06,23.08,21.010,15.033,50.036,49.042,47.051,55.020,58.028,57.048,56]octapentaconta-1(55),2(31),3,6(23),7,10,12,14,16(58),17,19,21,24(57),25,27,29,33(50),34,36(49),37,39,41(56),42,44,46,51,53-heptacosaene;5,19,32,46-tetrazaheptadecacyclo[30.22.1.15,24.18,12.135,39.02,31.04,29.06,23.07,20.013,18.033,50.034,47.040,45.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),8,10,12(58),13,15,17,21,24(57),25,27,30,33(50),34(47),35,37,39(56),40,42,44,48,51(55),52-heptacosaene;5,20,32,47-tetrazaheptadecacyclo[30.22.1.15,24.19,13.136,40.02,31.04,29.06,23.08,21.014,19.033,50.035,48.041,46.051,55.020,58.028,57.047,56]octapentaconta-1(54),2,4(29),6,8(21),9,11,13(58),14,16,18,22,24(57),25,27,30,33,35(48),36,38,40(56),41,43,45,49,51(55),52-heptacosaene.

Molecular Properties

Compound Name3,30-diphenyl-5,21,32,48-tetrazaheptadecacyclo[30.22.1.15,24.110,14.137,41.02,31.04,29.06,23.09,22.015,20.033,50.036,49.042,47.051,55.021,58.028,57.048,56]octapentaconta-1(54),2,4(29),6(23),7,9(22),10,12,14(58),15,17,19,24(57),25,27,30,33(50),34,36(49),37,39,41(56),42,44,46,51(55),52-heptacosaene;5,8,32,35-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.07,20.09,14.033,50.034,47.036,41.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),9,11,13,15(58),16,18,21,24(57),25,27,30,33(50),34(47),36,38,40,42(56),43,45,48,51(55),52-heptacosaene;5,9,32,48-tetrazaheptadecacyclo[30.22.1.15,24.19,16.137,41.02,31.04,29.06,23.08,21.010,15.033,50.036,49.042,47.051,55.020,58.028,57.048,56]octapentaconta-1(55),2(31),3,6(23),7,10,12,14,16(58),17,19,21,24(57),25,27,29,33(50),34,36(49),37,39,41(56),42,44,46,51,53-heptacosaene;5,19,32,46-tetrazaheptadecacyclo[30.22.1.15,24.18,12.135,39.02,31.04,29.06,23.07,20.013,18.033,50.034,47.040,45.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),8,10,12(58),13,15,17,21,24(57),25,27,30,33(50),34(47),35,37,39(56),40,42,44,48,51(55),52-heptacosaene;5,20,32,47-tetrazaheptadecacyclo[30.22.1.15,24.19,13.136,40.02,31.04,29.06,23.08,21.014,19.033,50.035,48.041,46.051,55.020,58.028,57.047,56]octapentaconta-1(54),2,4(29),6,8(21),9,11,13(58),14,16,18,22,24(57),25,27,30,33,35(48),36,38,40(56),41,43,45,49,51(55),52-heptacosaene
PubChem CID158190062
Molecular FormulaC282H138N20
Molecular Weight3806.35 g/mol
Exact Mass3803.14
IUPAC Name3,30-diphenyl-5,21,32,48-tetrazaheptadecacyclo[30.22.1.15,24.110,14.137,41.02,31.04,29.06,23.09,22.015,20.033,50.036,49.042,47.051,55.021,58.028,57.048,56]octapentaconta-1(54),2,4(29),6(23),7,9(22),10,12,14(58),15,17,19,24(57),25,27,30,33(50),34,36(49),37,39,41(56),42,44,46,51(55),52-heptacosaene;5,8,32,35-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.07,20.09,14.033,50.034,47.036,41.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),9,11,13,15(58),16,18,21,24(57),25,27,30,33(50),34(47),36,38,40,42(56),43,45,48,51(55),52-heptacosaene;5,9,32,48-tetrazaheptadecacyclo[30.22.1.15,24.19,16.137,41.02,31.04,29.06,23.08,21.010,15.033,50.036,49.042,47.051,55.020,58.028,57.048,56]octapentaconta-1(55),2(31),3,6(23),7,10,12,14,16(58),17,19,21,24(57),25,27,29,33(50),34,36(49),37,39,41(56),42,44,46,51,53-heptacosaene;5,19,32,46-tetrazaheptadecacyclo[30.22.1.15,24.18,12.135,39.02,31.04,29.06,23.07,20.013,18.033,50.034,47.040,45.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),8,10,12(58),13,15,17,21,24(57),25,27,30,33(50),34(47),35,37,39(56),40,42,44,48,51(55),52-heptacosaene;5,20,32,47-tetrazaheptadecacyclo[30.22.1.15,24.19,13.136,40.02,31.04,29.06,23.08,21.014,19.033,50.035,48.041,46.051,55.020,58.028,57.047,56]octapentaconta-1(54),2,4(29),6,8(21),9,11,13(58),14,16,18,22,24(57),25,27,30,33,35(48),36,38,40(56),41,43,45,49,51(55),52-heptacosaene
SMILESc1ccc(-c2c3c4cccc5c6c(ccc7c8cccc9c%10ccccc%10n(c98)c76)n(c3c(-c3ccccc3)c3c6cccc7c8c(ccc9c%10cccc%11c%12ccccc%12n(c%11%10)c98)n(c23)c67)c45)cc1.c1ccc2c(c1)c1cccc3c4c(ccc5c6cccc7c8cc9c(cc8n(c76)c54)c4cccc5c6ccc7c(c8cccc%10c%11ccccc%11n7c%108)c6n9c45)n2c13.c1ccc2c(c1)c1cccc3c4cc5c(cc4n2c13)c1cccc2c3cc4c(cc3n5c12)c1cccc2c3cc5c(cc3n4c21)c1cccc2c3ccccc3n5c21.c1ccc2c(c1)c1cccc3c4cc5c6cccc7c8cc9c(cc8n(c5cc4n2c13)c76)c1cccc2c3c(ccc4c5cccc6c7ccccc7n(c65)c43)n9c12.c1ccc2c(c1)c1cccc3c4ccc5c6cccc7c8cc9c(cc8n(c76)c5c4n2c13)c1cccc2c3ccc4c5cccc6c7ccccc7n(c65)c4c3n9c12
InChIInChI=1S/C66H34N4.4C54H26N4/c1-3-15-35(16-4-1)53-57-47-27-13-25-45-56-52(34-32-44-42-24-12-22-40-38-20-8-10-30-50(38)68(60(40)42)64(44)56)70(61(45)47)66(57)54(36-17-5-2-6-18-36)58-48-28-14-26-46-55-51(69(62(46)48)65(53)58)33-31-43-41-23-11-21-39-37-19-7-9-29-49(37)67(59(39)41)63(43)55;1-3-19-41-27(9-1)29-11-7-17-37-47-43(55(41)51(29)37)23-21-35-31-13-5-15-33-39-26-46-40(25-45(39)57(49(31)33)53(35)47)34-16-6-14-32-36-22-24-44-48(54(36)58(46)50(32)34)38-18-8-12-30-28-10-2-4-20-42(28)56(44)52(30)38;1-3-19-42-27(9-1)29-11-6-14-32-38-23-39-33-15-7-16-34-40-24-45-41(25-46(40)57(51(33)34)48(39)26-47(38)55(42)50(29)32)35-17-8-18-37-49-44(56(45)53(35)37)22-21-36-31-13-5-12-30-28-10-2-4-20-43(28)58(52(30)31)54(36)49;1-3-19-43-27(9-1)29-11-5-13-31-37-23-47-39(21-45(37)55(43)51(29)31)33-15-7-17-35-41-26-50-42(25-49(41)57(47)53(33)35)36-18-8-16-34-40-22-46-38(24-48(40)58(50)54(34)36)32-14-6-12-30-28-10-2-4-20-44(28)56(46)52(30)32;1-3-19-43-27(9-1)29-11-5-13-31-37-21-23-39-33-15-7-17-35-41-26-46-42(25-45(41)57(49(33)35)53(39)51(37)55(43)47(29)31)36-18-8-16-34-40-24-22-38-32-14-6-12-30-28-10-2-4-20-44(28)56(48(30)32)52(38)54(40)58(46)50(34)36/h1-34H;4*1-26H
InChIKeyFZQHRPSACNVHND-UHFFFAOYSA-N
XLogP74.77
TPSA88.20 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds2
Heavy Atoms302
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003806.35
LogP ≤ 574.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 3,30-diphenyl-5,21,32,48-tetrazaheptadecacyclo[30.22.1.15,24.110,14.137,41.02,31.04,29.06,23.09,22.015,20.033,50.036,49.042,47.051,55.021,58.028,57.048,56]octapentaconta-1(54),2,4(29),6(23),7,9(22),10,12,14(58),15,17,19,24(57),25,27,30,33(50),34,36(49),37,39,41(56),42,44,46,51(55),52-heptacosaene;5,8,32,35-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.07,20.09,14.033,50.034,47.036,41.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),9,11,13,15(58),16,18,21,24(57),25,27,30,33(50),34(47),36,38,40,42(56),43,45,48,51(55),52-heptacosaene;5,9,32,48-tetrazaheptadecacyclo[30.22.1.15,24.19,16.137,41.02,31.04,29.06,23.08,21.010,15.033,50.036,49.042,47.051,55.020,58.028,57.048,56]octapentaconta-1(55),2(31),3,6(23),7,10,12,14,16(58),17,19,21,24(57),25,27,29,33(50),34,36(49),37,39,41(56),42,44,46,51,53-heptacosaene;5,19,32,46-tetrazaheptadecacyclo[30.22.1.15,24.18,12.135,39.02,31.04,29.06,23.07,20.013,18.033,50.034,47.040,45.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),8,10,12(58),13,15,17,21,24(57),25,27,30,33(50),34(47),35,37,39(56),40,42,44,48,51(55),52-heptacosaene;5,20,32,47-tetrazaheptadecacyclo[30.22.1.15,24.19,13.136,40.02,31.04,29.06,23.08,21.014,19.033,50.035,48.041,46.051,55.020,58.028,57.047,56]octapentaconta-1(54),2,4(29),6,8(21),9,11,13(58),14,16,18,22,24(57),25,27,30,33,35(48),36,38,40(56),41,43,45,49,51(55),52-heptacosaene with MolForge

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Related Compounds

3,7,25,29-tetraphenyl-1,7,23,29-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5,8,10,12,14,16(46),17,19,21,24,27,30,32,34,36,38(45),39,41,43-henicosaene;3,10,25,32-tetraphenyl-5,10,27,32-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),11,13,15,19(46),20,22,25,28(40),29,31(39),33,35,37,41(45),42-henicosaene;3,13,25,35-tetraphenyl-1,13,23,35-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene
CID 159222947
14-phenyl-5,14,27,41-tetrazapentadecacyclo[25.22.1.15,19.130,34.02,26.04,24.06,18.07,15.08,13.028,45.029,42.035,40.046,50.023,52.041,51]dopentaconta-1(49),2,4(24),6(18),7(15),8,10,12,16,19(52),20,22,25,28(45),29(42),30,32,34(51),35,37,39,43,46(50),47-tetracosaene
CID 155308708
3,15,25,37-tetraphenyl-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene
CID 146512315
4,20,32-triazaundecacyclo[18.16.1.14,11.121,25.02,19.03,16.05,10.026,31.033,37.015,39.032,38]nonatriaconta-1(37),2(19),3(16),5,7,9,11(39),12,14,17,21,23,25(38),26,28,30,33,35-octadecaene
CID 171595081
16,38-dimethyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(45),2,4(24),6(18),7,9(17),10,12,14,19,21,23(46),25,28(40),29,31(39),32,34,36,41,43-henicosaene
CID 146497438
17,24-diazadecacyclo[22.10.1.16,10.02,23.03,20.05,18.011,16.025,30.031,35.017,36]hexatriaconta-1(34),2(23),3,5(18),6,8,10(36),11,13,15,19,21,25,27,29,31(35),32-heptadecaene
CID 176726685
9,24-ditert-butyl-13,28-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene;3,25-diphenyl-16,38-bis(3-phenylphenyl)-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene
CID 167531458
16,38-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(45),2,4(24),6(18),7,9(17),10,12,14,19,21,23(46),25,28(40),29,31(39),32,34,36,41,43-henicosaene
CID 146512233
6-[4-[8-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 155334926
13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;10-N,10-N,25-N,25-N,3,18-hexakis-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine;13-N,13-N,28-N,28-N-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;3,16,25,38-tetraphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),10,12,14,19(46),20,22,25,28(40),29,31(39),32,34,36,41(45),42-henicosaene
CID 163630567
7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(34),2(23),3(20),4,6(19),8,10,12,14(36),15,17,21,25,27,29,31(35),32-heptadecaene
CID 138506886
3,7,25,29-tetraphenyl-1,7,23,29-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.08,13.017,22.028,36.030,35.038,45.039,44.023,46]hexatetraconta-2(26),3,5,8,10,12,14,16(46),17,19,21,24,27,30,32,34,36,38(45),39,41,43-henicosaene;3,10,25,32-tetraphenyl-5,10,27,32-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.011,16.028,40.031,39.033,38.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9(17),11,13,15,19(46),20,22,25,28(40),29,31(39),33,35,37,41(45),42-henicosaene;3,13,25,35-tetraphenyl-1,13,23,35-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene;3,14,25,36-tetraphenyl-5,14,27,36-tetrazatridecacyclo[25.17.1.15,12.02,26.04,24.06,11.013,21.015,20.028,33.034,45.035,43.037,42.023,46]hexatetraconta-1(45),2,4(24),6,8,10,12,15,17,19,21,23(46),25,28,30,32,34,37,39,41,43-henicosaene;3,20,25,42-tetraphenyl-5,20,27,42-tetrazatridecacyclo[25.17.1.15,12.02,26.04,24.06,11.013,21.014,19.028,33.034,45.035,43.036,41.023,46]hexatetraconta-1(44),2,4(24),6,8,10,12(46),13(21),14,16,18,22,25,28,30,32,34(45),35(43),36,38,40-henicosaene
CID 157150916

Frequently Asked Questions

What is the IUPAC name of 3,30-diphenyl-5,21,32,48-tetrazaheptadecacyclo[30.22.1.15,24.110,14.137,41.02,31.04,29.06,23.09,22.015,20.033,50.036,49.042,47.051,55.021,58.028,57.048,56]octapentaconta-1(54),2,4(29),6(23),7,9(22),10,12,14(58),15,17,19,24(57),25,27,30,33(50),34,36(49),37,39,41(56),42,44,46,51(55),52-heptacosaene;5,8,32,35-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.07,20.09,14.033,50.034,47.036,41.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),9,11,13,15(58),16,18,21,24(57),25,27,30,33(50),34(47),36,38,40,42(56),43,45,48,51(55),52-heptacosaene;5,9,32,48-tetrazaheptadecacyclo[30.22.1.15,24.19,16.137,41.02,31.04,29.06,23.08,21.010,15.033,50.036,49.042,47.051,55.020,58.028,57.048,56]octapentaconta-1(55),2(31),3,6(23),7,10,12,14,16(58),17,19,21,24(57),25,27,29,33(50),34,36(49),37,39,41(56),42,44,46,51,53-heptacosaene;5,19,32,46-tetrazaheptadecacyclo[30.22.1.15,24.18,12.135,39.02,31.04,29.06,23.07,20.013,18.033,50.034,47.040,45.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),8,10,12(58),13,15,17,21,24(57),25,27,30,33(50),34(47),35,37,39(56),40,42,44,48,51(55),52-heptacosaene;5,20,32,47-tetrazaheptadecacyclo[30.22.1.15,24.19,13.136,40.02,31.04,29.06,23.08,21.014,19.033,50.035,48.041,46.051,55.020,58.028,57.047,56]octapentaconta-1(54),2,4(29),6,8(21),9,11,13(58),14,16,18,22,24(57),25,27,30,33,35(48),36,38,40(56),41,43,45,49,51(55),52-heptacosaene?
The IUPAC name of 3,30-diphenyl-5,21,32,48-tetrazaheptadecacyclo[30.22.1.15,24.110,14.137,41.02,31.04,29.06,23.09,22.015,20.033,50.036,49.042,47.051,55.021,58.028,57.048,56]octapentaconta-1(54),2,4(29),6(23),7,9(22),10,12,14(58),15,17,19,24(57),25,27,30,33(50),34,36(49),37,39,41(56),42,44,46,51(55),52-heptacosaene;5,8,32,35-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.07,20.09,14.033,50.034,47.036,41.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),9,11,13,15(58),16,18,21,24(57),25,27,30,33(50),34(47),36,38,40,42(56),43,45,48,51(55),52-heptacosaene;5,9,32,48-tetrazaheptadecacyclo[30.22.1.15,24.19,16.137,41.02,31.04,29.06,23.08,21.010,15.033,50.036,49.042,47.051,55.020,58.028,57.048,56]octapentaconta-1(55),2(31),3,6(23),7,10,12,14,16(58),17,19,21,24(57),25,27,29,33(50),34,36(49),37,39,41(56),42,44,46,51,53-heptacosaene;5,19,32,46-tetrazaheptadecacyclo[30.22.1.15,24.18,12.135,39.02,31.04,29.06,23.07,20.013,18.033,50.034,47.040,45.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),8,10,12(58),13,15,17,21,24(57),25,27,30,33(50),34(47),35,37,39(56),40,42,44,48,51(55),52-heptacosaene;5,20,32,47-tetrazaheptadecacyclo[30.22.1.15,24.19,13.136,40.02,31.04,29.06,23.08,21.014,19.033,50.035,48.041,46.051,55.020,58.028,57.047,56]octapentaconta-1(54),2,4(29),6,8(21),9,11,13(58),14,16,18,22,24(57),25,27,30,33,35(48),36,38,40(56),41,43,45,49,51(55),52-heptacosaene (CID 158190062) is 3,30-diphenyl-5,21,32,48-tetrazaheptadecacyclo[30.22.1.15,24.110,14.137,41.02,31.04,29.06,23.09,22.015,20.033,50.036,49.042,47.051,55.021,58.028,57.048,56]octapentaconta-1(54),2,4(29),6(23),7,9(22),10,12,14(58),15,17,19,24(57),25,27,30,33(50),34,36(49),37,39,41(56),42,44,46,51(55),52-heptacosaene;5,8,32,35-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.07,20.09,14.033,50.034,47.036,41.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),9,11,13,15(58),16,18,21,24(57),25,27,30,33(50),34(47),36,38,40,42(56),43,45,48,51(55),52-heptacosaene;5,9,32,48-tetrazaheptadecacyclo[30.22.1.15,24.19,16.137,41.02,31.04,29.06,23.08,21.010,15.033,50.036,49.042,47.051,55.020,58.028,57.048,56]octapentaconta-1(55),2(31),3,6(23),7,10,12,14,16(58),17,19,21,24(57),25,27,29,33(50),34,36(49),37,39,41(56),42,44,46,51,53-heptacosaene;5,19,32,46-tetrazaheptadecacyclo[30.22.1.15,24.18,12.135,39.02,31.04,29.06,23.07,20.013,18.033,50.034,47.040,45.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),8,10,12(58),13,15,17,21,24(57),25,27,30,33(50),34(47),35,37,39(56),40,42,44,48,51(55),52-heptacosaene;5,20,32,47-tetrazaheptadecacyclo[30.22.1.15,24.19,13.136,40.02,31.04,29.06,23.08,21.014,19.033,50.035,48.041,46.051,55.020,58.028,57.047,56]octapentaconta-1(54),2,4(29),6,8(21),9,11,13(58),14,16,18,22,24(57),25,27,30,33,35(48),36,38,40(56),41,43,45,49,51(55),52-heptacosaene.
What is the SMILES notation for 3,30-diphenyl-5,21,32,48-tetrazaheptadecacyclo[30.22.1.15,24.110,14.137,41.02,31.04,29.06,23.09,22.015,20.033,50.036,49.042,47.051,55.021,58.028,57.048,56]octapentaconta-1(54),2,4(29),6(23),7,9(22),10,12,14(58),15,17,19,24(57),25,27,30,33(50),34,36(49),37,39,41(56),42,44,46,51(55),52-heptacosaene;5,8,32,35-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.07,20.09,14.033,50.034,47.036,41.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),9,11,13,15(58),16,18,21,24(57),25,27,30,33(50),34(47),36,38,40,42(56),43,45,48,51(55),52-heptacosaene;5,9,32,48-tetrazaheptadecacyclo[30.22.1.15,24.19,16.137,41.02,31.04,29.06,23.08,21.010,15.033,50.036,49.042,47.051,55.020,58.028,57.048,56]octapentaconta-1(55),2(31),3,6(23),7,10,12,14,16(58),17,19,21,24(57),25,27,29,33(50),34,36(49),37,39,41(56),42,44,46,51,53-heptacosaene;5,19,32,46-tetrazaheptadecacyclo[30.22.1.15,24.18,12.135,39.02,31.04,29.06,23.07,20.013,18.033,50.034,47.040,45.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),8,10,12(58),13,15,17,21,24(57),25,27,30,33(50),34(47),35,37,39(56),40,42,44,48,51(55),52-heptacosaene;5,20,32,47-tetrazaheptadecacyclo[30.22.1.15,24.19,13.136,40.02,31.04,29.06,23.08,21.014,19.033,50.035,48.041,46.051,55.020,58.028,57.047,56]octapentaconta-1(54),2,4(29),6,8(21),9,11,13(58),14,16,18,22,24(57),25,27,30,33,35(48),36,38,40(56),41,43,45,49,51(55),52-heptacosaene?
The canonical SMILES for 3,30-diphenyl-5,21,32,48-tetrazaheptadecacyclo[30.22.1.15,24.110,14.137,41.02,31.04,29.06,23.09,22.015,20.033,50.036,49.042,47.051,55.021,58.028,57.048,56]octapentaconta-1(54),2,4(29),6(23),7,9(22),10,12,14(58),15,17,19,24(57),25,27,30,33(50),34,36(49),37,39,41(56),42,44,46,51(55),52-heptacosaene;5,8,32,35-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.07,20.09,14.033,50.034,47.036,41.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),9,11,13,15(58),16,18,21,24(57),25,27,30,33(50),34(47),36,38,40,42(56),43,45,48,51(55),52-heptacosaene;5,9,32,48-tetrazaheptadecacyclo[30.22.1.15,24.19,16.137,41.02,31.04,29.06,23.08,21.010,15.033,50.036,49.042,47.051,55.020,58.028,57.048,56]octapentaconta-1(55),2(31),3,6(23),7,10,12,14,16(58),17,19,21,24(57),25,27,29,33(50),34,36(49),37,39,41(56),42,44,46,51,53-heptacosaene;5,19,32,46-tetrazaheptadecacyclo[30.22.1.15,24.18,12.135,39.02,31.04,29.06,23.07,20.013,18.033,50.034,47.040,45.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),8,10,12(58),13,15,17,21,24(57),25,27,30,33(50),34(47),35,37,39(56),40,42,44,48,51(55),52-heptacosaene;5,20,32,47-tetrazaheptadecacyclo[30.22.1.15,24.19,13.136,40.02,31.04,29.06,23.08,21.014,19.033,50.035,48.041,46.051,55.020,58.028,57.047,56]octapentaconta-1(54),2,4(29),6,8(21),9,11,13(58),14,16,18,22,24(57),25,27,30,33,35(48),36,38,40(56),41,43,45,49,51(55),52-heptacosaene is c1ccc(-c2c3c4cccc5c6c(ccc7c8cccc9c%10ccccc%10n(c98)c76)n(c3c(-c3ccccc3)c3c6cccc7c8c(ccc9c%10cccc%11c%12ccccc%12n(c%11%10)c98)n(c23)c67)c45)cc1.c1ccc2c(c1)c1cccc3c4c(ccc5c6cccc7c8cc9c(cc8n(c76)c54)c4cccc5c6ccc7c(c8cccc%10c%11ccccc%11n7c%108)c6n9c45)n2c13.c1ccc2c(c1)c1cccc3c4cc5c(cc4n2c13)c1cccc2c3cc4c(cc3n5c12)c1cccc2c3cc5c(cc3n4c21)c1cccc2c3ccccc3n5c21.c1ccc2c(c1)c1cccc3c4cc5c6cccc7c8cc9c(cc8n(c5cc4n2c13)c76)c1cccc2c3c(ccc4c5cccc6c7ccccc7n(c65)c43)n9c12.c1ccc2c(c1)c1cccc3c4ccc5c6cccc7c8cc9c(cc8n(c76)c5c4n2c13)c1cccc2c3ccc4c5cccc6c7ccccc7n(c65)c4c3n9c12.
What is the InChIKey of 3,30-diphenyl-5,21,32,48-tetrazaheptadecacyclo[30.22.1.15,24.110,14.137,41.02,31.04,29.06,23.09,22.015,20.033,50.036,49.042,47.051,55.021,58.028,57.048,56]octapentaconta-1(54),2,4(29),6(23),7,9(22),10,12,14(58),15,17,19,24(57),25,27,30,33(50),34,36(49),37,39,41(56),42,44,46,51(55),52-heptacosaene;5,8,32,35-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.07,20.09,14.033,50.034,47.036,41.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),9,11,13,15(58),16,18,21,24(57),25,27,30,33(50),34(47),36,38,40,42(56),43,45,48,51(55),52-heptacosaene;5,9,32,48-tetrazaheptadecacyclo[30.22.1.15,24.19,16.137,41.02,31.04,29.06,23.08,21.010,15.033,50.036,49.042,47.051,55.020,58.028,57.048,56]octapentaconta-1(55),2(31),3,6(23),7,10,12,14,16(58),17,19,21,24(57),25,27,29,33(50),34,36(49),37,39,41(56),42,44,46,51,53-heptacosaene;5,19,32,46-tetrazaheptadecacyclo[30.22.1.15,24.18,12.135,39.02,31.04,29.06,23.07,20.013,18.033,50.034,47.040,45.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),8,10,12(58),13,15,17,21,24(57),25,27,30,33(50),34(47),35,37,39(56),40,42,44,48,51(55),52-heptacosaene;5,20,32,47-tetrazaheptadecacyclo[30.22.1.15,24.19,13.136,40.02,31.04,29.06,23.08,21.014,19.033,50.035,48.041,46.051,55.020,58.028,57.047,56]octapentaconta-1(54),2,4(29),6,8(21),9,11,13(58),14,16,18,22,24(57),25,27,30,33,35(48),36,38,40(56),41,43,45,49,51(55),52-heptacosaene?
The InChIKey is FZQHRPSACNVHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H34N4.4C54H26N4/c1-3-15-35(16-4-1)53-57-47-27-13-25-45-56-52(34-32-44-42-24-12-22-40-38-20-8-10-30-50(38)68(60(40)42)64(44)56)70(61(45)47)66(57)54(36-17-5-2-6-18-36)58-48-28-14-26-46-55-51(69(62(46)48)65(53)58)33-31-43-41-23-11-21-39-37-19-7-9-29-49(37)67(59(39)41)63(43)55;1-3-19-41-27(9-1)29-11-7-17-37-47-43(55(41)51(29)37)23-21-35-31-13-5-15-33-39-26-46-40(25-45(39)57(49(31)33)53(35)47)34-16-6-14-32-36-22-24-44-48(54(36)58(46)50(32)34)38-18-8-12-30-28-10-2-4-20-42(28)56(44)52(30)38;1-3-19-42-27(9-1)29-11-6-14-32-38-23-39-33-15-7-16-34-40-24-45-41(25-46(40)57(51(33)34)48(39)26-47(38)55(42)50(29)32)35-17-8-18-37-49-44(56(45)53(35)37)22-21-36-31-13-5-12-30-28-10-2-4-20-43(28)58(52(30)31)54(36)49;1-3-19-43-27(9-1)29-11-5-13-31-37-23-47-39(21-45(37)55(43)51(29)31)33-15-7-17-35-41-26-50-42(25-49(41)57(47)53(33)35)36-18-8-16-34-40-22-46-38(24-48(40)58(50)54(34)36)32-14-6-12-30-28-10-2-4-20-44(28)56(46)52(30)32;1-3-19-43-27(9-1)29-11-5-13-31-37-21-23-39-33-15-7-17-35-41-26-46-42(25-45(41)57(49(33)35)53(39)51(37)55(43)47(29)31)36-18-8-16-34-40-24-22-38-32-14-6-12-30-28-10-2-4-20-44(28)56(48(30)32)52(38)54(40)58(46)50(34)36/h1-34H;4*1-26H.
What are the key properties of 3,30-diphenyl-5,21,32,48-tetrazaheptadecacyclo[30.22.1.15,24.110,14.137,41.02,31.04,29.06,23.09,22.015,20.033,50.036,49.042,47.051,55.021,58.028,57.048,56]octapentaconta-1(54),2,4(29),6(23),7,9(22),10,12,14(58),15,17,19,24(57),25,27,30,33(50),34,36(49),37,39,41(56),42,44,46,51(55),52-heptacosaene;5,8,32,35-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.07,20.09,14.033,50.034,47.036,41.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),9,11,13,15(58),16,18,21,24(57),25,27,30,33(50),34(47),36,38,40,42(56),43,45,48,51(55),52-heptacosaene;5,9,32,48-tetrazaheptadecacyclo[30.22.1.15,24.19,16.137,41.02,31.04,29.06,23.08,21.010,15.033,50.036,49.042,47.051,55.020,58.028,57.048,56]octapentaconta-1(55),2(31),3,6(23),7,10,12,14,16(58),17,19,21,24(57),25,27,29,33(50),34,36(49),37,39,41(56),42,44,46,51,53-heptacosaene;5,19,32,46-tetrazaheptadecacyclo[30.22.1.15,24.18,12.135,39.02,31.04,29.06,23.07,20.013,18.033,50.034,47.040,45.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),8,10,12(58),13,15,17,21,24(57),25,27,30,33(50),34(47),35,37,39(56),40,42,44,48,51(55),52-heptacosaene;5,20,32,47-tetrazaheptadecacyclo[30.22.1.15,24.19,13.136,40.02,31.04,29.06,23.08,21.014,19.033,50.035,48.041,46.051,55.020,58.028,57.047,56]octapentaconta-1(54),2,4(29),6,8(21),9,11,13(58),14,16,18,22,24(57),25,27,30,33,35(48),36,38,40(56),41,43,45,49,51(55),52-heptacosaene?
3,30-diphenyl-5,21,32,48-tetrazaheptadecacyclo[30.22.1.15,24.110,14.137,41.02,31.04,29.06,23.09,22.015,20.033,50.036,49.042,47.051,55.021,58.028,57.048,56]octapentaconta-1(54),2,4(29),6(23),7,9(22),10,12,14(58),15,17,19,24(57),25,27,30,33(50),34,36(49),37,39,41(56),42,44,46,51(55),52-heptacosaene;5,8,32,35-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.07,20.09,14.033,50.034,47.036,41.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),9,11,13,15(58),16,18,21,24(57),25,27,30,33(50),34(47),36,38,40,42(56),43,45,48,51(55),52-heptacosaene;5,9,32,48-tetrazaheptadecacyclo[30.22.1.15,24.19,16.137,41.02,31.04,29.06,23.08,21.010,15.033,50.036,49.042,47.051,55.020,58.028,57.048,56]octapentaconta-1(55),2(31),3,6(23),7,10,12,14,16(58),17,19,21,24(57),25,27,29,33(50),34,36(49),37,39,41(56),42,44,46,51,53-heptacosaene;5,19,32,46-tetrazaheptadecacyclo[30.22.1.15,24.18,12.135,39.02,31.04,29.06,23.07,20.013,18.033,50.034,47.040,45.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),8,10,12(58),13,15,17,21,24(57),25,27,30,33(50),34(47),35,37,39(56),40,42,44,48,51(55),52-heptacosaene;5,20,32,47-tetrazaheptadecacyclo[30.22.1.15,24.19,13.136,40.02,31.04,29.06,23.08,21.014,19.033,50.035,48.041,46.051,55.020,58.028,57.047,56]octapentaconta-1(54),2,4(29),6,8(21),9,11,13(58),14,16,18,22,24(57),25,27,30,33,35(48),36,38,40(56),41,43,45,49,51(55),52-heptacosaene has a molecular weight of 3806.35 g/mol, XLogP of 74.77, 2 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3,30-diphenyl-5,21,32,48-tetrazaheptadecacyclo[30.22.1.15,24.110,14.137,41.02,31.04,29.06,23.09,22.015,20.033,50.036,49.042,47.051,55.021,58.028,57.048,56]octapentaconta-1(54),2,4(29),6(23),7,9(22),10,12,14(58),15,17,19,24(57),25,27,30,33(50),34,36(49),37,39,41(56),42,44,46,51(55),52-heptacosaene;5,8,32,35-tetrazaheptadecacyclo[30.22.1.15,24.18,15.135,42.02,31.04,29.06,23.07,20.09,14.033,50.034,47.036,41.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),9,11,13,15(58),16,18,21,24(57),25,27,30,33(50),34(47),36,38,40,42(56),43,45,48,51(55),52-heptacosaene;5,9,32,48-tetrazaheptadecacyclo[30.22.1.15,24.19,16.137,41.02,31.04,29.06,23.08,21.010,15.033,50.036,49.042,47.051,55.020,58.028,57.048,56]octapentaconta-1(55),2(31),3,6(23),7,10,12,14,16(58),17,19,21,24(57),25,27,29,33(50),34,36(49),37,39,41(56),42,44,46,51,53-heptacosaene;5,19,32,46-tetrazaheptadecacyclo[30.22.1.15,24.18,12.135,39.02,31.04,29.06,23.07,20.013,18.033,50.034,47.040,45.051,55.019,58.028,57.046,56]octapentaconta-1(54),2,4(29),6(23),7(20),8,10,12(58),13,15,17,21,24(57),25,27,30,33(50),34(47),35,37,39(56),40,42,44,48,51(55),52-heptacosaene;5,20,32,47-tetrazaheptadecacyclo[30.22.1.15,24.19,13.136,40.02,31.04,29.06,23.08,21.014,19.033,50.035,48.041,46.051,55.020,58.028,57.047,56]octapentaconta-1(54),2,4(29),6,8(21),9,11,13(58),14,16,18,22,24(57),25,27,30,33,35(48),36,38,40(56),41,43,45,49,51(55),52-heptacosaene is sourced from PubChem (CID 158190062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).