14-[6-(10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-5,10-di(propan-2-yl)pyren-1-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;29-[7-(22,22-dimethyl-33-phenyl-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-pentadecaen-29-yl)triphenylen-2-yl]-22,22-dimethyl-33-phenyl-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;13-[6-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-3,8-dipyridin-3-ylpyren-1-yl]-6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaene

C250H162N10O6 — CID 159736205

About 14-[6-(10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-5,10-di(propan-2-yl)pyren-1-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;29-[7-(22,22-dimethyl-33-phenyl-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-pentadecaen-29-yl)triphenylen-2-yl]-22,22-dimethyl-33-phenyl-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;13-[6-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-3,8-dipyridin-3-ylpyren-1-yl]-6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaene

14-[6-(10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-5,10-di(propan-2-yl)pyren-1-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;29-[7-(22,22-dimethyl-33-phenyl-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-pentadecaen-29-yl)triphenylen-2-yl]-22,22-dimethyl-33-phenyl-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;13-[6-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-3,8-dipyridin-3-ylpyren-1-yl]-6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaene (PubChem CID 159736205) has the molecular formula C250H162N10O6 and a molecular weight of 3402.11 g/mol. Its IUPAC name is 14-[6-(10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-5,10-di(propan-2-yl)pyren-1-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;29-[7-(22,22-dimethyl-33-phenyl-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-pentadecaen-29-yl)triphenylen-2-yl]-22,22-dimethyl-33-phenyl-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;13-[6-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-3,8-dipyridin-3-ylpyren-1-yl]-6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaene.

Molecular Properties

• Compound Name: 14-[6-(10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-5,10-di(propan-2-yl)pyren-1-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;29-[7-(22,22-dimethyl-33-phenyl-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-pentadecaen-29-yl)triphenylen-2-yl]-22,22-dimethyl-33-phenyl-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;13-[6-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-3,8-dipyridin-3-ylpyren-1-yl]-6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaene
• PubChem CID: 159736205
• Molecular Formula: C250H162N10O6
• Molecular Weight: 3402.11 g/mol
• Exact Mass: 3399.27
• IUPAC Name: 14-[6-(10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-5,10-di(propan-2-yl)pyren-1-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;29-[7-(22,22-dimethyl-33-phenyl-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-pentadecaen-29-yl)triphenylen-2-yl]-22,22-dimethyl-33-phenyl-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;13-[6-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-3,8-dipyridin-3-ylpyren-1-yl]-6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaene
• SMILES: CC(C)c1cc2ccc(N3c4ccccc4Oc4cc5c(cc43)C(C)(C)c3ccccc3-5)c3c(C(C)C)cc4ccc(N5c6ccccc6Oc6cc7c(cc65)C(C)(C)c5ccccc5-7)c1c4c23.CC1(C)c2ccccc2N(c2ccc3c4ccc(N5c6ccccc6C(C)(C)c6cc7c8cc9c%10ccccc%10c%10ccccc%10c9cc8n(-c8ccccc8)c7cc65)cc4c4ccccc4c3c2)c2cc3c(cc21)c1cc2c4ccccc4c4ccccc4c2cc1n3-c1ccccc1.c1cncc(-c2cc(-n3c4ccccc4oc4cc5c(cc43)oc3cc4c6cccc7cccc(c8cccc(c35)c84)c76)c3ccc4c(-c5cccnc5)cc(-n5c6ccccc6oc6cc7c(cc65)oc5cc6c8cccc9cccc(c%10cccc(c57)c%106)c98)c5ccc2c3c45)c1
• InChI: InChI=1S/C96H64N4.C90H46N4O4.C64H52N2O2/c1-95(2)83-39-21-23-41-87(83)99(93-55-91-81(51-85(93)95)79-49-75-65-33-15-11-29-61(65)63-31-13-17-35-67(63)77(75)53-89(79)97(91)57-25-7-5-8-26-57)59-43-45-71-72-46-44-60(48-74(72)70-38-20-19-37-69(70)73(71)47-59)100-88-42-24-22-40-84(88)96(3,4)86-52-82-80-50-76-66-34-16-12-30-62(66)64-32-14-18-36-68(64)78(76)54-90(80)98(92(82)56-94(86)100)58-27-9-6-10-28-58;1-3-29-75-69(27-1)93(73-43-77-67(41-79(73)95-75)87-61-25-9-23-53-51-19-5-13-47-15-7-21-55(83(47)51)65(85(53)61)39-81(87)97-77)71-37-63(49-17-11-35-91-45-49)57-32-34-60-72(38-64(50-18-12-36-92-46-50)58-31-33-59(71)89(57)90(58)60)94-70-28-2-4-30-76(70)96-80-42-68-78(44-74(80)94)98-82-40-66-56-22-8-16-48-14-6-20-52(84(48)56)54-24-10-26-62(86(54)66)88(68)82;1-35(2)41-29-37-25-28-52(66-50-22-14-16-24-56(50)68-58-32-44-40-18-10-12-20-46(40)64(7,8)48(44)34-54(58)66)62-42(36(3)4)30-38-26-27-51(61(41)59(38)60(37)62)65-49-21-13-15-23-55(49)67-57-31-43-39-17-9-11-19-45(39)63(5,6)47(43)33-53(57)65/h5-56H,1-4H3;1-46H;9-36H,1-8H3
• InChIKey: NBWJRAKFCFWCPM-UHFFFAOYSA-N
• XLogP: 70.18
• TPSA: 129.48 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 266
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3402.11
LogP ≤ 5	70.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14-[6-(10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-5,10-di(propan-2-yl)pyren-1-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;29-[7-(22,22-dimethyl-33-phenyl-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-pentadecaen-29-yl)triphenylen-2-yl]-22,22-dimethyl-33-phenyl-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;13-[6-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-3,8-dipyridin-3-ylpyren-1-yl]-6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaene?

The IUPAC name of 14-[6-(10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-5,10-di(propan-2-yl)pyren-1-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;29-[7-(22,22-dimethyl-33-phenyl-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-pentadecaen-29-yl)triphenylen-2-yl]-22,22-dimethyl-33-phenyl-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;13-[6-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-3,8-dipyridin-3-ylpyren-1-yl]-6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaene (CID 159736205) is 14-[6-(10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-5,10-di(propan-2-yl)pyren-1-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;29-[7-(22,22-dimethyl-33-phenyl-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-pentadecaen-29-yl)triphenylen-2-yl]-22,22-dimethyl-33-phenyl-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;13-[6-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-3,8-dipyridin-3-ylpyren-1-yl]-6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaene.

What is the SMILES notation for 14-[6-(10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-5,10-di(propan-2-yl)pyren-1-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;29-[7-(22,22-dimethyl-33-phenyl-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-pentadecaen-29-yl)triphenylen-2-yl]-22,22-dimethyl-33-phenyl-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;13-[6-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-3,8-dipyridin-3-ylpyren-1-yl]-6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaene?

The canonical SMILES for 14-[6-(10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-5,10-di(propan-2-yl)pyren-1-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;29-[7-(22,22-dimethyl-33-phenyl-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-pentadecaen-29-yl)triphenylen-2-yl]-22,22-dimethyl-33-phenyl-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;13-[6-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-3,8-dipyridin-3-ylpyren-1-yl]-6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaene is CC(C)c1cc2ccc(N3c4ccccc4Oc4cc5c(cc43)C(C)(C)c3ccccc3-5)c3c(C(C)C)cc4ccc(N5c6ccccc6Oc6cc7c(cc65)C(C)(C)c5ccccc5-7)c1c4c23.CC1(C)c2ccccc2N(c2ccc3c4ccc(N5c6ccccc6C(C)(C)c6cc7c8cc9c%10ccccc%10c%10ccccc%10c9cc8n(-c8ccccc8)c7cc65)cc4c4ccccc4c3c2)c2cc3c(cc21)c1cc2c4ccccc4c4ccccc4c2cc1n3-c1ccccc1.c1cncc(-c2cc(-n3c4ccccc4oc4cc5c(cc43)oc3cc4c6cccc7cccc(c8cccc(c35)c84)c76)c3ccc4c(-c5cccnc5)cc(-n5c6ccccc6oc6cc7c(cc65)oc5cc6c8cccc9cccc(c%10cccc(c57)c%106)c98)c5ccc2c3c45)c1.

What is the InChIKey of 14-[6-(10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-5,10-di(propan-2-yl)pyren-1-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;29-[7-(22,22-dimethyl-33-phenyl-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-pentadecaen-29-yl)triphenylen-2-yl]-22,22-dimethyl-33-phenyl-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;13-[6-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-3,8-dipyridin-3-ylpyren-1-yl]-6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaene?

The InChIKey is NBWJRAKFCFWCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H64N4.C90H46N4O4.C64H52N2O2/c1-95(2)83-39-21-23-41-87(83)99(93-55-91-81(51-85(93)95)79-49-75-65-33-15-11-29-61(65)63-31-13-17-35-67(63)77(75)53-89(79)97(91)57-25-7-5-8-26-57)59-43-45-71-72-46-44-60(48-74(72)70-38-20-19-37-69(70)73(71)47-59)100-88-42-24-22-40-84(88)96(3,4)86-52-82-80-50-76-66-34-16-12-30-62(66)64-32-14-18-36-68(64)78(76)54-90(80)98(92(82)56-94(86)100)58-27-9-6-10-28-58;1-3-29-75-69(27-1)93(73-43-77-67(41-79(73)95-75)87-61-25-9-23-53-51-19-5-13-47-15-7-21-55(83(47)51)65(85(53)61)39-81(87)97-77)71-37-63(49-17-11-35-91-45-49)57-32-34-60-72(38-64(50-18-12-36-92-46-50)58-31-33-59(71)89(57)90(58)60)94-70-28-2-4-30-76(70)96-80-42-68-78(44-74(80)94)98-82-40-66-56-22-8-16-48-14-6-20-52(84(48)56)54-24-10-26-62(86(54)66)88(68)82;1-35(2)41-29-37-25-28-52(66-50-22-14-16-24-56(50)68-58-32-44-40-18-10-12-20-46(40)64(7,8)48(44)34-54(58)66)62-42(36(3)4)30-38-26-27-51(61(41)59(38)60(37)62)65-49-21-13-15-23-55(49)67-57-31-43-39-17-9-11-19-45(39)63(5,6)47(43)33-53(57)65/h5-56H,1-4H3;1-46H;9-36H,1-8H3.

What are the key properties of 14-[6-(10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-5,10-di(propan-2-yl)pyren-1-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;29-[7-(22,22-dimethyl-33-phenyl-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-pentadecaen-29-yl)triphenylen-2-yl]-22,22-dimethyl-33-phenyl-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;13-[6-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-3,8-dipyridin-3-ylpyren-1-yl]-6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaene?

14-[6-(10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-5,10-di(propan-2-yl)pyren-1-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;29-[7-(22,22-dimethyl-33-phenyl-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-pentadecaen-29-yl)triphenylen-2-yl]-22,22-dimethyl-33-phenyl-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;13-[6-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-3,8-dipyridin-3-ylpyren-1-yl]-6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaene has a molecular weight of 3402.11 g/mol, XLogP of 70.18, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[6-(10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-5,10-di(propan-2-yl)pyren-1-yl]-10,10-dimethyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;29-[7-(22,22-dimethyl-33-phenyl-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-pentadecaen-29-yl)triphenylen-2-yl]-22,22-dimethyl-33-phenyl-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;13-[6-(6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaen-13-yl)-3,8-dipyridin-3-ylpyren-1-yl]-6,17-dioxa-13-azanonacyclo[18.13.1.121,25.02,18.03,16.05,14.07,12.030,34.029,35]pentatriaconta-1(33),2(18),3,5(14),7,9,11,15,19,21,23,25(35),26,28,30(34),31-hexadecaene is sourced from PubChem (CID 159736205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).