3,13,13,25,35,35-hexakis-phenyl-1,23-diazatridecacyclo[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;3,14,14,25,36,36-hexakis-phenyl-5,27-diazatridecacyclo[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(44),2,4(24),6,8,10,12(46),13(21),15,17,19,22,25,28,30,32,34(45),35(43),37,39,41-henicosaene;3,20,20,25,42,42-hexakis-phenyl-5,27-diazatridecacyclo[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;5-N,5-N,22-N,22-N-tetraphenyl-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),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene-5,22-diamine;15-N,15-N,32-N,32-N-tetraphenyl-7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(35),2(23),3(20),4,6(19),8,10,12,14,16,18(36),21,25,27,29,31,33-heptadecaene-15,32-diamine

C356H216N14 — CID 161258432

About 3,13,13,25,35,35-hexakis-phenyl-1,23-diazatridecacyclo[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;3,14,14,25,36,36-hexakis-phenyl-5,27-diazatridecacyclo[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(44),2,4(24),6,8,10,12(46),13(21),15,17,19,22,25,28,30,32,34(45),35(43),37,39,41-henicosaene;3,20,20,25,42,42-hexakis-phenyl-5,27-diazatridecacyclo[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;5-N,5-N,22-N,22-N-tetraphenyl-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),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene-5,22-diamine;15-N,15-N,32-N,32-N-tetraphenyl-7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(35),2(23),3(20),4,6(19),8,10,12,14,16,18(36),21,25,27,29,31,33-heptadecaene-15,32-diamine

3,13,13,25,35,35-hexakis-phenyl-1,23-diazatridecacyclo[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;3,14,14,25,36,36-hexakis-phenyl-5,27-diazatridecacyclo[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(44),2,4(24),6,8,10,12(46),13(21),15,17,19,22,25,28,30,32,34(45),35(43),37,39,41-henicosaene;3,20,20,25,42,42-hexakis-phenyl-5,27-diazatridecacyclo[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;5-N,5-N,22-N,22-N-tetraphenyl-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),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene-5,22-diamine;15-N,15-N,32-N,32-N-tetraphenyl-7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(35),2(23),3(20),4,6(19),8,10,12,14,16,18(36),21,25,27,29,31,33-heptadecaene-15,32-diamine (PubChem CID 161258432) has the molecular formula C356H216N14 and a molecular weight of 4689.74 g/mol. Its IUPAC name is 3,13,13,25,35,35-hexakis-phenyl-1,23-diazatridecacyclo[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;3,14,14,25,36,36-hexakis-phenyl-5,27-diazatridecacyclo[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(44),2,4(24),6,8,10,12(46),13(21),15,17,19,22,25,28,30,32,34(45),35(43),37,39,41-henicosaene;3,20,20,25,42,42-hexakis-phenyl-5,27-diazatridecacyclo[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;5-N,5-N,22-N,22-N-tetraphenyl-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),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene-5,22-diamine;15-N,15-N,32-N,32-N-tetraphenyl-7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(35),2(23),3(20),4,6(19),8,10,12,14,16,18(36),21,25,27,29,31,33-heptadecaene-15,32-diamine.

Molecular Properties

• Compound Name: 3,13,13,25,35,35-hexakis-phenyl-1,23-diazatridecacyclo[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;3,14,14,25,36,36-hexakis-phenyl-5,27-diazatridecacyclo[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(44),2,4(24),6,8,10,12(46),13(21),15,17,19,22,25,28,30,32,34(45),35(43),37,39,41-henicosaene;3,20,20,25,42,42-hexakis-phenyl-5,27-diazatridecacyclo[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;5-N,5-N,22-N,22-N-tetraphenyl-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),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene-5,22-diamine;15-N,15-N,32-N,32-N-tetraphenyl-7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(35),2(23),3(20),4,6(19),8,10,12,14,16,18(36),21,25,27,29,31,33-heptadecaene-15,32-diamine
• PubChem CID: 161258432
• Molecular Formula: C356H216N14
• Molecular Weight: 4689.74 g/mol
• Exact Mass: 4685.73
• IUPAC Name: 3,13,13,25,35,35-hexakis-phenyl-1,23-diazatridecacyclo[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;3,14,14,25,36,36-hexakis-phenyl-5,27-diazatridecacyclo[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(44),2,4(24),6,8,10,12(46),13(21),15,17,19,22,25,28,30,32,34(45),35(43),37,39,41-henicosaene;3,20,20,25,42,42-hexakis-phenyl-5,27-diazatridecacyclo[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;5-N,5-N,22-N,22-N-tetraphenyl-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),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene-5,22-diamine;15-N,15-N,32-N,32-N-tetraphenyl-7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(35),2(23),3(20),4,6(19),8,10,12,14,16,18(36),21,25,27,29,31,33-heptadecaene-15,32-diamine
• SMILES: c1ccc(-c2c3c4c5c(cc6c7ccccc7n(c3c(-c3ccccc3)c3c7c8c(cc9c%10ccccc%10n(c23)c97)C(c2ccccc2)(c2ccccc2)c2ccccc2-8)c64)C(c2ccccc2)(c2ccccc2)c2ccccc2-5)cc1.c1ccc(-c2c3c4cc5c(c6c7ccccc7n(c3c(-c3ccccc3)c3c7cc8c(c9c%10ccccc%10n(c23)c79)-c2ccccc2C8(c2ccccc2)c2ccccc2)c46)-c2ccccc2C5(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2c3c4cc5c(c6c7ccccc7n(c3c(-c3ccccc3)c3c7cc8c(c9c%10ccccc%10n(c23)c79)C(c2ccccc2)(c2ccccc2)c2ccccc2-8)c46)C(c2ccccc2)(c2ccccc2)c2ccccc2-5)cc1.c1ccc(N(c2ccccc2)c2cc3c(cc(N(c4ccccc4)c4ccccc4)c4c3c3cccc5c6ccccc6n4c53)c3c4cccc5c6ccccc6n(c23)c54)cc1.c1ccc(N(c2ccccc2)c2ccc3c4c5ccc6c(c5ccc4n4c5ccccc5c2c34)c2ccc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n6c23)cc1
• InChI: InChI=1S/3C80H48N2.2C58H36N4/c1-7-27-49(28-8-1)67-71-73-69-57-41-19-23-43-61(57)79(51-31-11-3-12-32-51,52-33-13-4-14-34-52)63(69)47-59-56-40-22-26-46-66(56)82(75(59)73)78(71)68(50-29-9-2-10-30-50)72-74-70-58-42-20-24-44-62(58)80(53-35-15-5-16-36-53,54-37-17-6-18-38-54)64(70)48-60-55-39-21-25-45-65(55)81(76(60)74)77(67)72;1-7-27-49(28-8-1)67-73-59-47-63-69(55-39-19-23-43-61(55)79(63,51-31-11-3-12-32-51)52-33-13-4-14-34-52)71-58-42-22-26-46-66(58)82(75(59)71)78(73)68(50-29-9-2-10-30-50)74-60-48-64-70(72-57-41-21-25-45-65(57)81(76(60)72)77(67)74)56-40-20-24-44-62(56)80(64,53-35-15-5-16-36-53)54-37-17-6-18-38-54;1-7-27-49(28-8-1)67-69-61-47-59-55-39-19-23-43-63(55)79(51-31-11-3-12-32-51,52-33-13-4-14-34-52)73(59)71-58-42-22-26-46-66(58)82(75(61)71)78(69)68(50-29-9-2-10-30-50)70-62-48-60-56-40-20-24-44-64(56)80(53-35-15-5-16-36-53,54-37-17-6-18-38-54)74(60)72-57-41-21-25-45-65(57)81(76(62)72)77(67)70;1-5-19-37(20-6-1)59(38-21-7-2-8-22-38)51-35-47-48(53-45-31-17-29-43-41-27-13-15-33-49(41)61(55(43)45)57(51)53)36-52(60(39-23-9-3-10-24-39)40-25-11-4-12-26-40)58-54(47)46-32-18-30-44-42-28-14-16-34-50(42)62(58)56(44)46;1-5-17-37(18-6-1)59(38-19-7-2-8-20-38)51-35-31-45-53-41-30-34-50-54(42(41)29-33-49(53)61-47-27-15-13-25-43(47)55(51)57(45)61)46-32-36-52(56-44-26-14-16-28-48(44)62(50)58(46)56)60(39-21-9-3-10-22-39)40-23-11-4-12-24-40/h3*1-48H;2*1-36H
• InChIKey: VCFUDSCAMDHAPA-UHFFFAOYSA-N
• XLogP: 92.30
• TPSA: 57.06 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 30
• Heavy Atoms: 370
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4689.74
LogP ≤ 5	92.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3,13,13,25,35,35-hexakis-phenyl-1,23-diazatridecacyclo[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;3,14,14,25,36,36-hexakis-phenyl-5,27-diazatridecacyclo[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(44),2,4(24),6,8,10,12(46),13(21),15,17,19,22,25,28,30,32,34(45),35(43),37,39,41-henicosaene;3,20,20,25,42,42-hexakis-phenyl-5,27-diazatridecacyclo[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;5-N,5-N,22-N,22-N-tetraphenyl-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),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene-5,22-diamine;15-N,15-N,32-N,32-N-tetraphenyl-7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(35),2(23),3(20),4,6(19),8,10,12,14,16,18(36),21,25,27,29,31,33-heptadecaene-15,32-diamine?

The IUPAC name of 3,13,13,25,35,35-hexakis-phenyl-1,23-diazatridecacyclo[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;3,14,14,25,36,36-hexakis-phenyl-5,27-diazatridecacyclo[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(44),2,4(24),6,8,10,12(46),13(21),15,17,19,22,25,28,30,32,34(45),35(43),37,39,41-henicosaene;3,20,20,25,42,42-hexakis-phenyl-5,27-diazatridecacyclo[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;5-N,5-N,22-N,22-N-tetraphenyl-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),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene-5,22-diamine;15-N,15-N,32-N,32-N-tetraphenyl-7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(35),2(23),3(20),4,6(19),8,10,12,14,16,18(36),21,25,27,29,31,33-heptadecaene-15,32-diamine (CID 161258432) is 3,13,13,25,35,35-hexakis-phenyl-1,23-diazatridecacyclo[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;3,14,14,25,36,36-hexakis-phenyl-5,27-diazatridecacyclo[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(44),2,4(24),6,8,10,12(46),13(21),15,17,19,22,25,28,30,32,34(45),35(43),37,39,41-henicosaene;3,20,20,25,42,42-hexakis-phenyl-5,27-diazatridecacyclo[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;5-N,5-N,22-N,22-N-tetraphenyl-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),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene-5,22-diamine;15-N,15-N,32-N,32-N-tetraphenyl-7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(35),2(23),3(20),4,6(19),8,10,12,14,16,18(36),21,25,27,29,31,33-heptadecaene-15,32-diamine.

What is the SMILES notation for 3,13,13,25,35,35-hexakis-phenyl-1,23-diazatridecacyclo[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;3,14,14,25,36,36-hexakis-phenyl-5,27-diazatridecacyclo[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(44),2,4(24),6,8,10,12(46),13(21),15,17,19,22,25,28,30,32,34(45),35(43),37,39,41-henicosaene;3,20,20,25,42,42-hexakis-phenyl-5,27-diazatridecacyclo[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;5-N,5-N,22-N,22-N-tetraphenyl-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),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene-5,22-diamine;15-N,15-N,32-N,32-N-tetraphenyl-7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(35),2(23),3(20),4,6(19),8,10,12,14,16,18(36),21,25,27,29,31,33-heptadecaene-15,32-diamine?

The canonical SMILES for 3,13,13,25,35,35-hexakis-phenyl-1,23-diazatridecacyclo[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;3,14,14,25,36,36-hexakis-phenyl-5,27-diazatridecacyclo[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(44),2,4(24),6,8,10,12(46),13(21),15,17,19,22,25,28,30,32,34(45),35(43),37,39,41-henicosaene;3,20,20,25,42,42-hexakis-phenyl-5,27-diazatridecacyclo[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;5-N,5-N,22-N,22-N-tetraphenyl-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),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene-5,22-diamine;15-N,15-N,32-N,32-N-tetraphenyl-7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(35),2(23),3(20),4,6(19),8,10,12,14,16,18(36),21,25,27,29,31,33-heptadecaene-15,32-diamine is c1ccc(-c2c3c4c5c(cc6c7ccccc7n(c3c(-c3ccccc3)c3c7c8c(cc9c%10ccccc%10n(c23)c97)C(c2ccccc2)(c2ccccc2)c2ccccc2-8)c64)C(c2ccccc2)(c2ccccc2)c2ccccc2-5)cc1.c1ccc(-c2c3c4cc5c(c6c7ccccc7n(c3c(-c3ccccc3)c3c7cc8c(c9c%10ccccc%10n(c23)c79)-c2ccccc2C8(c2ccccc2)c2ccccc2)c46)-c2ccccc2C5(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2c3c4cc5c(c6c7ccccc7n(c3c(-c3ccccc3)c3c7cc8c(c9c%10ccccc%10n(c23)c79)C(c2ccccc2)(c2ccccc2)c2ccccc2-8)c46)C(c2ccccc2)(c2ccccc2)c2ccccc2-5)cc1.c1ccc(N(c2ccccc2)c2cc3c(cc(N(c4ccccc4)c4ccccc4)c4c3c3cccc5c6ccccc6n4c53)c3c4cccc5c6ccccc6n(c23)c54)cc1.c1ccc(N(c2ccccc2)c2ccc3c4c5ccc6c(c5ccc4n4c5ccccc5c2c34)c2ccc(N(c3ccccc3)c3ccccc3)c3c4ccccc4n6c23)cc1.

What is the InChIKey of 3,13,13,25,35,35-hexakis-phenyl-1,23-diazatridecacyclo[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;3,14,14,25,36,36-hexakis-phenyl-5,27-diazatridecacyclo[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(44),2,4(24),6,8,10,12(46),13(21),15,17,19,22,25,28,30,32,34(45),35(43),37,39,41-henicosaene;3,20,20,25,42,42-hexakis-phenyl-5,27-diazatridecacyclo[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;5-N,5-N,22-N,22-N-tetraphenyl-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),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene-5,22-diamine;15-N,15-N,32-N,32-N-tetraphenyl-7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(35),2(23),3(20),4,6(19),8,10,12,14,16,18(36),21,25,27,29,31,33-heptadecaene-15,32-diamine?

The InChIKey is VCFUDSCAMDHAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C80H48N2.2C58H36N4/c1-7-27-49(28-8-1)67-71-73-69-57-41-19-23-43-61(57)79(51-31-11-3-12-32-51,52-33-13-4-14-34-52)63(69)47-59-56-40-22-26-46-66(56)82(75(59)73)78(71)68(50-29-9-2-10-30-50)72-74-70-58-42-20-24-44-62(58)80(53-35-15-5-16-36-53,54-37-17-6-18-38-54)64(70)48-60-55-39-21-25-45-65(55)81(76(60)74)77(67)72;1-7-27-49(28-8-1)67-73-59-47-63-69(55-39-19-23-43-61(55)79(63,51-31-11-3-12-32-51)52-33-13-4-14-34-52)71-58-42-22-26-46-66(58)82(75(59)71)78(73)68(50-29-9-2-10-30-50)74-60-48-64-70(72-57-41-21-25-45-65(57)81(76(60)72)77(67)74)56-40-20-24-44-62(56)80(64,53-35-15-5-16-36-53)54-37-17-6-18-38-54;1-7-27-49(28-8-1)67-69-61-47-59-55-39-19-23-43-63(55)79(51-31-11-3-12-32-51,52-33-13-4-14-34-52)73(59)71-58-42-22-26-46-66(58)82(75(61)71)78(69)68(50-29-9-2-10-30-50)70-62-48-60-56-40-20-24-44-64(56)80(53-35-15-5-16-36-53,54-37-17-6-18-38-54)74(60)72-57-41-21-25-45-65(57)81(76(62)72)77(67)70;1-5-19-37(20-6-1)59(38-21-7-2-8-22-38)51-35-47-48(53-45-31-17-29-43-41-27-13-15-33-49(41)61(55(43)45)57(51)53)36-52(60(39-23-9-3-10-24-39)40-25-11-4-12-26-40)58-54(47)46-32-18-30-44-42-28-14-16-34-50(42)62(58)56(44)46;1-5-17-37(18-6-1)59(38-19-7-2-8-20-38)51-35-31-45-53-41-30-34-50-54(42(41)29-33-49(53)61-47-27-15-13-25-43(47)55(51)57(45)61)46-32-36-52(56-44-26-14-16-28-48(44)62(50)58(46)56)60(39-21-9-3-10-22-39)40-23-11-4-12-24-40/h3*1-48H;2*1-36H.

What are the key properties of 3,13,13,25,35,35-hexakis-phenyl-1,23-diazatridecacyclo[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;3,14,14,25,36,36-hexakis-phenyl-5,27-diazatridecacyclo[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(44),2,4(24),6,8,10,12(46),13(21),15,17,19,22,25,28,30,32,34(45),35(43),37,39,41-henicosaene;3,20,20,25,42,42-hexakis-phenyl-5,27-diazatridecacyclo[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;5-N,5-N,22-N,22-N-tetraphenyl-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),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene-5,22-diamine;15-N,15-N,32-N,32-N-tetraphenyl-7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(35),2(23),3(20),4,6(19),8,10,12,14,16,18(36),21,25,27,29,31,33-heptadecaene-15,32-diamine?

3,13,13,25,35,35-hexakis-phenyl-1,23-diazatridecacyclo[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;3,14,14,25,36,36-hexakis-phenyl-5,27-diazatridecacyclo[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(44),2,4(24),6,8,10,12(46),13(21),15,17,19,22,25,28,30,32,34(45),35(43),37,39,41-henicosaene;3,20,20,25,42,42-hexakis-phenyl-5,27-diazatridecacyclo[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;5-N,5-N,22-N,22-N-tetraphenyl-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),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene-5,22-diamine;15-N,15-N,32-N,32-N-tetraphenyl-7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(35),2(23),3(20),4,6(19),8,10,12,14,16,18(36),21,25,27,29,31,33-heptadecaene-15,32-diamine has a molecular weight of 4689.74 g/mol, XLogP of 92.30, 30 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3,13,13,25,35,35-hexakis-phenyl-1,23-diazatridecacyclo[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;3,14,14,25,36,36-hexakis-phenyl-5,27-diazatridecacyclo[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(44),2,4(24),6,8,10,12(46),13(21),15,17,19,22,25,28,30,32,34(45),35(43),37,39,41-henicosaene;3,20,20,25,42,42-hexakis-phenyl-5,27-diazatridecacyclo[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;5-N,5-N,22-N,22-N-tetraphenyl-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),3,5,8,10,12,14(36),15,17,19,21,25,27,29,31(35),32-heptadecaene-5,22-diamine;15-N,15-N,32-N,32-N-tetraphenyl-7,24-diazadecacyclo[22.10.1.17,14.02,23.03,20.06,19.08,13.025,30.031,35.018,36]hexatriaconta-1(35),2(23),3(20),4,6(19),8,10,12,14,16,18(36),21,25,27,29,31,33-heptadecaene-15,32-diamine is sourced from PubChem (CID 161258432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).