24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35,35-dimethyl-20,24-diazanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22,22-dimethyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-35-oxa-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(4,6-diphenyl-1,3,5-triazin-2-yl)-33-oxa-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-30,30,33,33-tetramethyl-23-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.022,31.024,29]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,22(31),24,26,28-pentadecaene

C356H242N24O2S2 — CID 158569973

About 24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35,35-dimethyl-20,24-diazanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22,22-dimethyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-35-oxa-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(4,6-diphenyl-1,3,5-triazin-2-yl)-33-oxa-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-30,30,33,33-tetramethyl-23-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.022,31.024,29]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,22(31),24,26,28-pentadecaene

24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35,35-dimethyl-20,24-diazanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22,22-dimethyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-35-oxa-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(4,6-diphenyl-1,3,5-triazin-2-yl)-33-oxa-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-30,30,33,33-tetramethyl-23-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.022,31.024,29]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,22(31),24,26,28-pentadecaene (PubChem CID 158569973) has the molecular formula C356H242N24O2S2 and a molecular weight of 4952.15 g/mol. Its IUPAC name is 24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35,35-dimethyl-20,24-diazanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22,22-dimethyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-35-oxa-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(4,6-diphenyl-1,3,5-triazin-2-yl)-33-oxa-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-30,30,33,33-tetramethyl-23-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.022,31.024,29]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,22(31),24,26,28-pentadecaene.

Molecular Properties

• Compound Name: 24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35,35-dimethyl-20,24-diazanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22,22-dimethyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-35-oxa-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(4,6-diphenyl-1,3,5-triazin-2-yl)-33-oxa-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-30,30,33,33-tetramethyl-23-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.022,31.024,29]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,22(31),24,26,28-pentadecaene
• PubChem CID: 158569973
• Molecular Formula: C356H242N24O2S2
• Molecular Weight: 4952.15 g/mol
• Exact Mass: 4947.90
• IUPAC Name: 24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35,35-dimethyl-20,24-diazanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22,22-dimethyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-35-oxa-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(4,6-diphenyl-1,3,5-triazin-2-yl)-33-oxa-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-30,30,33,33-tetramethyl-23-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.022,31.024,29]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,22(31),24,26,28-pentadecaene
• SMILES: CC1(C)c2cc3c(cc2-c2cc4c5ccccc5c5ccccc5c4cc21)C(C)(C)c1cc2ccccc2cc1N3c1nc(-c2cccc3ccccc23)nc(-c2cccc3ccccc23)n1.CC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2ccc3c(c21)C(C)(C)c1ccccc1N3c1nc(-c2ccccc2)nc(-c2ccccc2)n1.CC1(C)c2ccccc2N(c2ccccc2)c2cc(-n3c4cc5c(cc4c4cc6c7ccccc7c7ccccc7c6cc43)C(C)(C)c3cc4ccccc4cc3N5c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc21.CC1(C)c2ccccc2N(c2ccccc2)c2cc(-n3c4cc5c(cc4c4cc6c7ccccc7c7ccccc7c6cc43)C(C)(C)c3ccccc3N5c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc21.c1ccc(-c2nc(-c3ccccc3)nc(N3c4cc5ccccc5cc4Oc4cc5c(cc43)sc3cc4c6ccccc6c6ccccc6c4cc35)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4Sc4cc5c(cc43)oc3cc4c6ccccc6c6ccccc6c4cc35)n2)cc1
• InChI: InChI=1S/C76H54N4.C72H52N4.C63H44N4.C51H38N4.C49H28N4OS.C45H26N4OS/c1-75(2)63-33-16-19-36-69(63)77(49-23-6-5-7-24-49)73-42-52(37-38-64(73)75)79-70-45-60-56-30-13-11-28-54(56)53-27-10-12-29-55(53)59(60)43-61(70)62-44-66-74(46-71(62)79)80(72-40-48-22-9-8-21-47(48)39-65(72)76(66,3)4)51-26-20-25-50(41-51)78-67-34-17-14-31-57(67)58-32-15-18-35-68(58)78;1-71(2)59-31-14-18-35-65(59)73(45-21-6-5-7-22-45)69-40-48(37-38-61(69)71)76-67-43-56-52-28-11-9-26-50(52)49-25-8-10-27-51(49)55(56)41-57(67)58-42-62-70(44-68(58)76)75(66-36-19-15-32-60(66)72(62,3)4)47-24-20-23-46(39-47)74-63-33-16-12-29-53(63)54-30-13-17-34-64(54)74;1-62(2)53-34-50-46-28-14-12-26-44(46)43-25-11-13-27-45(43)49(50)33-51(53)52-35-56-58(36-54(52)62)67(57-32-40-20-6-5-19-39(40)31-55(57)63(56,3)4)61-65-59(47-29-15-21-37-17-7-9-23-41(37)47)64-60(66-61)48-30-16-22-38-18-8-10-24-42(38)48;1-50(2)41-25-15-16-26-43(41)55(49-53-47(31-17-7-5-8-18-31)52-48(54-49)32-19-9-6-10-20-32)44-28-27-37-40-29-38-35-23-13-11-21-33(35)34-22-12-14-24-36(34)39(38)30-42(40)51(3,4)45(37)46(44)50;1-3-13-29(14-4-1)47-50-48(30-15-5-2-6-16-30)52-49(51-47)53-41-23-31-17-7-8-18-32(31)24-43(41)54-44-26-40-39-25-37-35-21-11-9-19-33(35)34-20-10-12-22-36(34)38(37)27-45(39)55-46(40)28-42(44)53;1-3-13-27(14-4-1)43-46-44(28-15-5-2-6-16-28)48-45(47-43)49-37-21-11-12-22-41(37)51-42-25-36-35-23-33-31-19-9-7-17-29(31)30-18-8-10-20-32(30)34(33)24-39(35)50-40(36)26-38(42)49/h5-46H,1-4H3;5-44H,1-4H3;5-36H,1-4H3;5-30H,1-4H3;1-28H;1-26H
• InChIKey: HRYNYUYAJAHJKX-UHFFFAOYSA-N
• XLogP: 96.15
• TPSA: 222.69 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 384
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4952.15
LogP ≤ 5	96.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35,35-dimethyl-20,24-diazanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22,22-dimethyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-35-oxa-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(4,6-diphenyl-1,3,5-triazin-2-yl)-33-oxa-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-30,30,33,33-tetramethyl-23-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.022,31.024,29]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,22(31),24,26,28-pentadecaene?

The IUPAC name of 24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35,35-dimethyl-20,24-diazanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22,22-dimethyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-35-oxa-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(4,6-diphenyl-1,3,5-triazin-2-yl)-33-oxa-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-30,30,33,33-tetramethyl-23-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.022,31.024,29]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,22(31),24,26,28-pentadecaene (CID 158569973) is 24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35,35-dimethyl-20,24-diazanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22,22-dimethyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-35-oxa-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(4,6-diphenyl-1,3,5-triazin-2-yl)-33-oxa-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-30,30,33,33-tetramethyl-23-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.022,31.024,29]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,22(31),24,26,28-pentadecaene.

What is the SMILES notation for 24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35,35-dimethyl-20,24-diazanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22,22-dimethyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-35-oxa-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(4,6-diphenyl-1,3,5-triazin-2-yl)-33-oxa-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-30,30,33,33-tetramethyl-23-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.022,31.024,29]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,22(31),24,26,28-pentadecaene?

The canonical SMILES for 24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35,35-dimethyl-20,24-diazanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22,22-dimethyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-35-oxa-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(4,6-diphenyl-1,3,5-triazin-2-yl)-33-oxa-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-30,30,33,33-tetramethyl-23-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.022,31.024,29]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,22(31),24,26,28-pentadecaene is CC1(C)c2cc3c(cc2-c2cc4c5ccccc5c5ccccc5c4cc21)C(C)(C)c1cc2ccccc2cc1N3c1nc(-c2cccc3ccccc23)nc(-c2cccc3ccccc23)n1.CC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2ccc3c(c21)C(C)(C)c1ccccc1N3c1nc(-c2ccccc2)nc(-c2ccccc2)n1.CC1(C)c2ccccc2N(c2ccccc2)c2cc(-n3c4cc5c(cc4c4cc6c7ccccc7c7ccccc7c6cc43)C(C)(C)c3cc4ccccc4cc3N5c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc21.CC1(C)c2ccccc2N(c2ccccc2)c2cc(-n3c4cc5c(cc4c4cc6c7ccccc7c7ccccc7c6cc43)C(C)(C)c3ccccc3N5c3cccc(-n4c5ccccc5c5ccccc54)c3)ccc21.c1ccc(-c2nc(-c3ccccc3)nc(N3c4cc5ccccc5cc4Oc4cc5c(cc43)sc3cc4c6ccccc6c6ccccc6c4cc35)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4Sc4cc5c(cc43)oc3cc4c6ccccc6c6ccccc6c4cc35)n2)cc1.

What is the InChIKey of 24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35,35-dimethyl-20,24-diazanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22,22-dimethyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-35-oxa-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(4,6-diphenyl-1,3,5-triazin-2-yl)-33-oxa-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-30,30,33,33-tetramethyl-23-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.022,31.024,29]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,22(31),24,26,28-pentadecaene?

The InChIKey is HRYNYUYAJAHJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H54N4.C72H52N4.C63H44N4.C51H38N4.C49H28N4OS.C45H26N4OS/c1-75(2)63-33-16-19-36-69(63)77(49-23-6-5-7-24-49)73-42-52(37-38-64(73)75)79-70-45-60-56-30-13-11-28-54(56)53-27-10-12-29-55(53)59(60)43-61(70)62-44-66-74(46-71(62)79)80(72-40-48-22-9-8-21-47(48)39-65(72)76(66,3)4)51-26-20-25-50(41-51)78-67-34-17-14-31-57(67)58-32-15-18-35-68(58)78;1-71(2)59-31-14-18-35-65(59)73(45-21-6-5-7-22-45)69-40-48(37-38-61(69)71)76-67-43-56-52-28-11-9-26-50(52)49-25-8-10-27-51(49)55(56)41-57(67)58-42-62-70(44-68(58)76)75(66-36-19-15-32-60(66)72(62,3)4)47-24-20-23-46(39-47)74-63-33-16-12-29-53(63)54-30-13-17-34-64(54)74;1-62(2)53-34-50-46-28-14-12-26-44(46)43-25-11-13-27-45(43)49(50)33-51(53)52-35-56-58(36-54(52)62)67(57-32-40-20-6-5-19-39(40)31-55(57)63(56,3)4)61-65-59(47-29-15-21-37-17-7-9-23-41(37)47)64-60(66-61)48-30-16-22-38-18-8-10-24-42(38)48;1-50(2)41-25-15-16-26-43(41)55(49-53-47(31-17-7-5-8-18-31)52-48(54-49)32-19-9-6-10-20-32)44-28-27-37-40-29-38-35-23-13-11-21-33(35)34-22-12-14-24-36(34)39(38)30-42(40)51(3,4)45(37)46(44)50;1-3-13-29(14-4-1)47-50-48(30-15-5-2-6-16-30)52-49(51-47)53-41-23-31-17-7-8-18-32(31)24-43(41)54-44-26-40-39-25-37-35-21-11-9-19-33(35)34-20-10-12-22-36(34)38(37)27-45(39)55-46(40)28-42(44)53;1-3-13-27(14-4-1)43-46-44(28-15-5-2-6-16-28)48-45(47-43)49-37-21-11-12-22-41(37)51-42-25-36-35-23-33-31-19-9-7-17-29(31)30-18-8-10-20-32(30)34(33)24-39(35)50-40(36)26-38(42)49/h5-46H,1-4H3;5-44H,1-4H3;5-36H,1-4H3;5-30H,1-4H3;1-28H;1-26H.

What are the key properties of 24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35,35-dimethyl-20,24-diazanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22,22-dimethyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-35-oxa-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(4,6-diphenyl-1,3,5-triazin-2-yl)-33-oxa-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-30,30,33,33-tetramethyl-23-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.022,31.024,29]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,22(31),24,26,28-pentadecaene?

24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35,35-dimethyl-20,24-diazanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22,22-dimethyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-35-oxa-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(4,6-diphenyl-1,3,5-triazin-2-yl)-33-oxa-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-30,30,33,33-tetramethyl-23-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.022,31.024,29]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,22(31),24,26,28-pentadecaene has a molecular weight of 4952.15 g/mol, XLogP of 96.15, 20 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(3-carbazol-9-ylphenyl)-20-(9,9-dimethyl-10-phenylacridin-3-yl)-35,35-dimethyl-20,24-diazanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(3-carbazol-9-ylphenyl)-33-(9,9-dimethyl-10-phenylacridin-3-yl)-22,22-dimethyl-29,33-diazaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;24-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-20,20,35,35-tetramethyl-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;24-(4,6-diphenyl-1,3,5-triazin-2-yl)-35-oxa-20-thia-24-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.025,34.027,32]heptatriaconta-1(37),2(19),3,5,7,9,11,13,15,17,21,23(36),25,27,29,31,33-heptadecaene;29-(4,6-diphenyl-1,3,5-triazin-2-yl)-33-oxa-22-thia-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene;23-(4,6-diphenyl-1,3,5-triazin-2-yl)-30,30,33,33-tetramethyl-23-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.022,31.024,29]tritriaconta-1(18),2,4,6,8,10,12,14,16,19(32),20,22(31),24,26,28-pentadecaene is sourced from PubChem (CID 158569973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).