13-[6-(6,6-dimethyl-17-thia-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)pyren-1-yl]-6,6-dimethyl-17-thia-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-(21,21-dimethyl-10-thia-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]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;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

C240H150N8O4S4 — CID 158925379

About 13-[6-(6,6-dimethyl-17-thia-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)pyren-1-yl]-6,6-dimethyl-17-thia-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-(21,21-dimethyl-10-thia-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]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;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

13-[6-(6,6-dimethyl-17-thia-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)pyren-1-yl]-6,6-dimethyl-17-thia-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-(21,21-dimethyl-10-thia-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]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;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 158925379) has the molecular formula C240H150N8O4S4 and a molecular weight of 3338.16 g/mol. Its IUPAC name is 13-[6-(6,6-dimethyl-17-thia-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)pyren-1-yl]-6,6-dimethyl-17-thia-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-(21,21-dimethyl-10-thia-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]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;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: 13-[6-(6,6-dimethyl-17-thia-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)pyren-1-yl]-6,6-dimethyl-17-thia-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-(21,21-dimethyl-10-thia-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]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;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: 158925379
• Molecular Formula: C240H150N8O4S4
• Molecular Weight: 3338.16 g/mol
• Exact Mass: 3335.07
• IUPAC Name: 13-[6-(6,6-dimethyl-17-thia-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)pyren-1-yl]-6,6-dimethyl-17-thia-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-(21,21-dimethyl-10-thia-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]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;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(N3c4ccccc4C(C)(C)c4cc5c(cc43)sc3ccccc35)c3c(C(C)C)cc4ccc(N5c6ccccc6C(C)(C)c6cc7c(cc65)sc5ccccc57)c1c4c23.CC1(C)c2ccccc2N(c2ccc3ccc4c(N5c6ccccc6C(C)(C)c6cc7c(cc65)sc5cc6c8cccc9cccc(c%10cccc(c57)c%106)c98)ccc5ccc2c3c54)c2cc3sc4cc5c6cccc7cccc(c8cccc(c4c3cc21)c85)c76.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/C90H46N4O4.C86H52N2S2.C64H52N2S2/c1-3-29-75-69(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;1-85(2)63-27-5-7-29-69(63)87(71-43-73-61(39-65(71)85)83-57-25-13-23-51-49-19-9-15-45-17-11-21-53(77(45)49)59(81(51)57)41-75(83)89-73)67-37-33-47-32-36-56-68(38-34-48-31-35-55(67)79(47)80(48)56)88-70-30-8-6-28-64(70)86(3,4)66-40-62-74(44-72(66)88)90-76-42-60-54-22-12-18-46-16-10-20-50(78(46)54)52-24-14-26-58(82(52)60)84(62)76;1-35(2)41-29-37-25-28-52(66-50-22-14-12-20-46(50)64(7,8)48-32-44-40-18-10-16-24-56(40)68-58(44)34-54(48)66)62-42(36(3)4)30-38-26-27-51(61(41)59(38)60(37)62)65-49-21-13-11-19-45(49)63(5,6)47-31-43-39-17-9-15-23-55(39)67-57(43)33-53(47)65/h1-46H;5-44H,1-4H3;9-36H,1-8H3
• InChIKey: JIJKEWMOAWYNFR-UHFFFAOYSA-N
• XLogP: 70.54
• TPSA: 101.16 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 256
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3338.16
LogP ≤ 5	70.54
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 13-[6-(6,6-dimethyl-17-thia-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)pyren-1-yl]-6,6-dimethyl-17-thia-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-(21,21-dimethyl-10-thia-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]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;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 13-[6-(6,6-dimethyl-17-thia-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)pyren-1-yl]-6,6-dimethyl-17-thia-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-(21,21-dimethyl-10-thia-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]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;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 158925379) is 13-[6-(6,6-dimethyl-17-thia-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)pyren-1-yl]-6,6-dimethyl-17-thia-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-(21,21-dimethyl-10-thia-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]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;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 13-[6-(6,6-dimethyl-17-thia-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)pyren-1-yl]-6,6-dimethyl-17-thia-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-(21,21-dimethyl-10-thia-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]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;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 13-[6-(6,6-dimethyl-17-thia-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)pyren-1-yl]-6,6-dimethyl-17-thia-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-(21,21-dimethyl-10-thia-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]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;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(N3c4ccccc4C(C)(C)c4cc5c(cc43)sc3ccccc35)c3c(C(C)C)cc4ccc(N5c6ccccc6C(C)(C)c6cc7c(cc65)sc5ccccc57)c1c4c23.CC1(C)c2ccccc2N(c2ccc3ccc4c(N5c6ccccc6C(C)(C)c6cc7c(cc65)sc5cc6c8cccc9cccc(c%10cccc(c57)c%106)c98)ccc5ccc2c3c54)c2cc3sc4cc5c6cccc7cccc(c8cccc(c4c3cc21)c85)c76.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 13-[6-(6,6-dimethyl-17-thia-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)pyren-1-yl]-6,6-dimethyl-17-thia-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-(21,21-dimethyl-10-thia-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]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;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 JIJKEWMOAWYNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H46N4O4.C86H52N2S2.C64H52N2S2/c1-3-29-75-69(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;1-85(2)63-27-5-7-29-69(63)87(71-43-73-61(39-65(71)85)83-57-25-13-23-51-49-19-9-15-45-17-11-21-53(77(45)49)59(81(51)57)41-75(83)89-73)67-37-33-47-32-36-56-68(38-34-48-31-35-55(67)79(47)80(48)56)88-70-30-8-6-28-64(70)86(3,4)66-40-62-74(44-72(66)88)90-76-42-60-54-22-12-18-46-16-10-20-50(78(46)54)52-24-14-26-58(82(52)60)84(62)76;1-35(2)41-29-37-25-28-52(66-50-22-14-12-20-46(50)64(7,8)48-32-44-40-18-10-16-24-56(40)68-58(44)34-54(48)66)62-42(36(3)4)30-38-26-27-51(61(41)59(38)60(37)62)65-49-21-13-11-19-45(49)63(5,6)47-31-43-39-17-9-15-23-55(39)67-57(43)33-53(47)65/h1-46H;5-44H,1-4H3;9-36H,1-8H3.

What are the key properties of 13-[6-(6,6-dimethyl-17-thia-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)pyren-1-yl]-6,6-dimethyl-17-thia-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-(21,21-dimethyl-10-thia-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]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;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?

13-[6-(6,6-dimethyl-17-thia-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)pyren-1-yl]-6,6-dimethyl-17-thia-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-(21,21-dimethyl-10-thia-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]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;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 3338.16 g/mol, XLogP of 70.54, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 13-[6-(6,6-dimethyl-17-thia-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)pyren-1-yl]-6,6-dimethyl-17-thia-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-(21,21-dimethyl-10-thia-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]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;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 158925379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).