12,17-diethyl-27,27-dimethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-12,17-bis(1-phenylethyl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33(38),34,36-octadecaene;27,27-dimethyl-12,17-di(propan-2-yl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;12,17,27,27-tetramethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene

C219H162N20O4+10 — CID 160878766

About 12,17-diethyl-27,27-dimethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-12,17-bis(1-phenylethyl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33(38),34,36-octadecaene;27,27-dimethyl-12,17-di(propan-2-yl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;12,17,27,27-tetramethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene

12,17-diethyl-27,27-dimethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-12,17-bis(1-phenylethyl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33(38),34,36-octadecaene;27,27-dimethyl-12,17-di(propan-2-yl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;12,17,27,27-tetramethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene (PubChem CID 160878766) has the molecular formula C219H162N20O4+10 and a molecular weight of 3137.84 g/mol. Its IUPAC name is 12,17-diethyl-27,27-dimethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-12,17-bis(1-phenylethyl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33(38),34,36-octadecaene;27,27-dimethyl-12,17-di(propan-2-yl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;12,17,27,27-tetramethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene.

Molecular Properties

• Compound Name: 12,17-diethyl-27,27-dimethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-12,17-bis(1-phenylethyl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33(38),34,36-octadecaene;27,27-dimethyl-12,17-di(propan-2-yl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;12,17,27,27-tetramethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene
• PubChem CID: 160878766
• Molecular Formula: C219H162N20O4+10
• Molecular Weight: 3137.84 g/mol
• Exact Mass: 3135.30
• IUPAC Name: 12,17-diethyl-27,27-dimethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-12,17-bis(1-phenylethyl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33(38),34,36-octadecaene;27,27-dimethyl-12,17-di(propan-2-yl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;12,17,27,27-tetramethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene
• SMILES: CC(C)c1cc2[n+]3c(c1)N1c4ccccc4C(C)(C)c4ccc5c(c41)C31c3c(cccc3-n3c4ccccc4c4c(C(C)C)cc-2[n+]1c43)O5.CC(c1ccccc1)c1cc2[n+]3c(c1)N1c4ccccc4C(C)(C)c4ccc5c(c41)C31c3c(cccc3-n3c4ccccc4c4c(C(C)c6ccccc6)cc-2[n+]1c43)O5.CC1(C)c2ccccc2N2c3c1ccc1c3C34c5c(cccc5-n5c6ccccc6c6ccc([n+]3c65)-c3cccc2[n+]34)C1.CCc1cc2[n+]3c(c1)N1c4ccccc4C(C)(C)c4ccc5c(c41)C31c3c(cccc3-n3c4ccccc4c4c(CC)cc-2[n+]1c43)O5.Cc1cc2[n+]3c(c1)N1c4ccccc4C(C)(C)c4ccc5c(c41)C31c3c(cccc3-n3c4ccccc4c4c(C)cc-2[n+]1c43)O5
• InChI: InChI=1S/C54H40N4O.C44H36N4O.C42H32N4O.C40H28N4O.C39H26N4/c1-31(33-16-7-5-8-17-33)35-28-43-44-30-37(32(2)34-18-9-6-10-19-34)48-36-20-11-13-22-40(36)55-42-24-15-25-45-49(42)54(58(44)52(48)55)50-46(59-45)27-26-39-51(50)56(47(29-35)57(43)54)41-23-14-12-21-38(41)53(39,3)4;1-23(2)25-20-33-34-22-27(24(3)4)38-26-12-7-9-14-30(26)45-32-16-11-17-35-39(32)44(48(34)42(38)45)40-36(49-35)19-18-29-41(40)46(37(21-25)47(33)44)31-15-10-8-13-28(31)43(29,5)6;1-5-23-20-31-32-22-24(6-2)36-25-12-7-9-14-28(25)43-30-16-11-17-33-37(30)42(46(32)40(36)43)38-34(47-33)19-18-27-39(38)44(35(21-23)45(31)42)29-15-10-8-13-26(29)41(27,3)4;1-21-18-29-30-20-22(2)34-23-10-5-7-12-26(23)41-28-14-9-15-31-35(28)40(44(30)38(34)41)36-32(45-31)17-16-25-37(36)42(33(19-21)43(29)40)27-13-8-6-11-24(27)39(25,3)4;1-38(2)26-11-4-6-13-29(26)41-33-16-8-14-30-31-20-18-25-24-10-3-5-12-28(24)40-32-15-7-9-22-21-23-17-19-27(38)36(41)35(23)39(34(22)32,42(30)33)43(31)37(25)40/h5-32H,1-4H3;7-24H,1-6H3;7-22H,5-6H2,1-4H3;5-20H,1-4H3;3-20H,21H2,1-2H3/q5*+2
• InChIKey: ZODFKPARRQTZPX-UHFFFAOYSA-N
• XLogP: 45.48
• TPSA: 116.57 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3137.84
LogP ≤ 5	45.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12,17-diethyl-27,27-dimethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-12,17-bis(1-phenylethyl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33(38),34,36-octadecaene;27,27-dimethyl-12,17-di(propan-2-yl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;12,17,27,27-tetramethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene?

The IUPAC name of 12,17-diethyl-27,27-dimethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-12,17-bis(1-phenylethyl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33(38),34,36-octadecaene;27,27-dimethyl-12,17-di(propan-2-yl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;12,17,27,27-tetramethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene (CID 160878766) is 12,17-diethyl-27,27-dimethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-12,17-bis(1-phenylethyl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33(38),34,36-octadecaene;27,27-dimethyl-12,17-di(propan-2-yl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;12,17,27,27-tetramethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene.

What is the SMILES notation for 12,17-diethyl-27,27-dimethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-12,17-bis(1-phenylethyl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33(38),34,36-octadecaene;27,27-dimethyl-12,17-di(propan-2-yl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;12,17,27,27-tetramethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene?

The canonical SMILES for 12,17-diethyl-27,27-dimethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-12,17-bis(1-phenylethyl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33(38),34,36-octadecaene;27,27-dimethyl-12,17-di(propan-2-yl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;12,17,27,27-tetramethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene is CC(C)c1cc2[n+]3c(c1)N1c4ccccc4C(C)(C)c4ccc5c(c41)C31c3c(cccc3-n3c4ccccc4c4c(C(C)C)cc-2[n+]1c43)O5.CC(c1ccccc1)c1cc2[n+]3c(c1)N1c4ccccc4C(C)(C)c4ccc5c(c41)C31c3c(cccc3-n3c4ccccc4c4c(C(C)c6ccccc6)cc-2[n+]1c43)O5.CC1(C)c2ccccc2N2c3c1ccc1c3C34c5c(cccc5-n5c6ccccc6c6ccc([n+]3c65)-c3cccc2[n+]34)C1.CCc1cc2[n+]3c(c1)N1c4ccccc4C(C)(C)c4ccc5c(c41)C31c3c(cccc3-n3c4ccccc4c4c(CC)cc-2[n+]1c43)O5.Cc1cc2[n+]3c(c1)N1c4ccccc4C(C)(C)c4ccc5c(c41)C31c3c(cccc3-n3c4ccccc4c4c(C)cc-2[n+]1c43)O5.

What is the InChIKey of 12,17-diethyl-27,27-dimethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-12,17-bis(1-phenylethyl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33(38),34,36-octadecaene;27,27-dimethyl-12,17-di(propan-2-yl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;12,17,27,27-tetramethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene?

The InChIKey is ZODFKPARRQTZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N4O.C44H36N4O.C42H32N4O.C40H28N4O.C39H26N4/c1-31(33-16-7-5-8-17-33)35-28-43-44-30-37(32(2)34-18-9-6-10-19-34)48-36-20-11-13-22-40(36)55-42-24-15-25-45-49(42)54(58(44)52(48)55)50-46(59-45)27-26-39-51(50)56(47(29-35)57(43)54)41-23-14-12-21-38(41)53(39,3)4;1-23(2)25-20-33-34-22-27(24(3)4)38-26-12-7-9-14-30(26)45-32-16-11-17-35-39(32)44(48(34)42(38)45)40-36(49-35)19-18-29-41(40)46(37(21-25)47(33)44)31-15-10-8-13-28(31)43(29,5)6;1-5-23-20-31-32-22-24(6-2)36-25-12-7-9-14-28(25)43-30-16-11-17-33-37(30)42(46(32)40(36)43)38-34(47-33)19-18-27-39(38)44(35(21-23)45(31)42)29-15-10-8-13-26(29)41(27,3)4;1-21-18-29-30-20-22(2)34-23-10-5-7-12-26(23)41-28-14-9-15-31-35(28)40(44(30)38(34)41)36-32(45-31)17-16-25-37(36)42(33(19-21)43(29)40)27-13-8-6-11-24(27)39(25,3)4;1-38(2)26-11-4-6-13-29(26)41-33-16-8-14-30-31-20-18-25-24-10-3-5-12-28(24)40-32-15-7-9-22-21-23-17-19-27(38)36(41)35(23)39(34(22)32,42(30)33)43(31)37(25)40/h5-32H,1-4H3;7-24H,1-6H3;7-22H,5-6H2,1-4H3;5-20H,1-4H3;3-20H,21H2,1-2H3/q5*+2.

What are the key properties of 12,17-diethyl-27,27-dimethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-12,17-bis(1-phenylethyl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33(38),34,36-octadecaene;27,27-dimethyl-12,17-di(propan-2-yl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;12,17,27,27-tetramethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene?

12,17-diethyl-27,27-dimethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-12,17-bis(1-phenylethyl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33(38),34,36-octadecaene;27,27-dimethyl-12,17-di(propan-2-yl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;12,17,27,27-tetramethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene has a molecular weight of 3137.84 g/mol, XLogP of 45.48, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 12,17-diethyl-27,27-dimethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-12,17-bis(1-phenylethyl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;27,27-dimethyl-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33(38),34,36-octadecaene;27,27-dimethyl-12,17-di(propan-2-yl)-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene;12,17,27,27-tetramethyl-32-oxa-4,20-diaza-2,41-diazoniadodecacyclo[18.18.2.11,15.02,14.03,11.04,37.05,10.021,26.028,40.031,39.033,38.019,41]hentetraconta-2(14),3(11),5,7,9,12,15(41),16,18,21,23,25,28(40),29,31(39),33,35,37-octadecaene is sourced from PubChem (CID 160878766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).