5,18-dimethyl-5,18-diazaoctadecacyclo[33.10.1.02,34.03,7.08,33.09,31.012,30.013,28.016,20.016,27.020,25.023,43.024,41.026,39.029,38.032,37.036,40.042,46]hexatetraconta-1,8(33),10,13(28),14,21,23(43),24(41),26(39),29(38),32(37),34,36(40),42(46),44-pentadecaene

C46H30N2 — CID 59221279

About 5,18-dimethyl-5,18-diazaoctadecacyclo[33.10.1.02,34.03,7.08,33.09,31.012,30.013,28.016,20.016,27.020,25.023,43.024,41.026,39.029,38.032,37.036,40.042,46]hexatetraconta-1,8(33),10,13(28),14,21,23(43),24(41),26(39),29(38),32(37),34,36(40),42(46),44-pentadecaene

5,18-dimethyl-5,18-diazaoctadecacyclo[33.10.1.02,34.03,7.08,33.09,31.012,30.013,28.016,20.016,27.020,25.023,43.024,41.026,39.029,38.032,37.036,40.042,46]hexatetraconta-1,8(33),10,13(28),14,21,23(43),24(41),26(39),29(38),32(37),34,36(40),42(46),44-pentadecaene (PubChem CID 59221279) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is 5,18-dimethyl-5,18-diazaoctadecacyclo[33.10.1.02,34.03,7.08,33.09,31.012,30.013,28.016,20.016,27.020,25.023,43.024,41.026,39.029,38.032,37.036,40.042,46]hexatetraconta-1,8(33),10,13(28),14,21,23(43),24(41),26(39),29(38),32(37),34,36(40),42(46),44-pentadecaene.

Molecular Properties

• Compound Name: 5,18-dimethyl-5,18-diazaoctadecacyclo[33.10.1.02,34.03,7.08,33.09,31.012,30.013,28.016,20.016,27.020,25.023,43.024,41.026,39.029,38.032,37.036,40.042,46]hexatetraconta-1,8(33),10,13(28),14,21,23(43),24(41),26(39),29(38),32(37),34,36(40),42(46),44-pentadecaene
• PubChem CID: 59221279
• Molecular Formula: C46H30N2
• Molecular Weight: 610.76 g/mol
• Exact Mass: 610.24
• IUPAC Name: 5,18-dimethyl-5,18-diazaoctadecacyclo[33.10.1.02,34.03,7.08,33.09,31.012,30.013,28.016,20.016,27.020,25.023,43.024,41.026,39.029,38.032,37.036,40.042,46]hexatetraconta-1,8(33),10,13(28),14,21,23(43),24(41),26(39),29(38),32(37),34,36(40),42(46),44-pentadecaene
• SMILES: CN1CC2C3=c4c5c6c7c8c9c%10c%11c(c%12ccc%13c(c4c(c69)c%13c%12%10)C2C1)C=CC12CN(C)CC14C=CC1=C(C=7C6C1C=CC3C56)C4C=8C%112
• InChI: InChI=1S/C46H30N2/c1-47-11-21-22(12-47)24-20-6-4-16-18-8-10-46-14-48(2)13-45(46)9-7-17-15-3-5-19-23(21)31-32(24)36-28(20)26(16)34-30(18)44(46)42-41-37-33(29(17)43(42)45)25(15)27(19)35(31)39(37)40(36)38(34)41/h3-10,15,19,21-22,25,27,43-44H,11-14H2,1-2H3
• InChIKey: YBOCOWAFBPIDPR-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.76
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,18-dimethyl-5,18-diazaoctadecacyclo[33.10.1.02,34.03,7.08,33.09,31.012,30.013,28.016,20.016,27.020,25.023,43.024,41.026,39.029,38.032,37.036,40.042,46]hexatetraconta-1,8(33),10,13(28),14,21,23(43),24(41),26(39),29(38),32(37),34,36(40),42(46),44-pentadecaene?

The IUPAC name of 5,18-dimethyl-5,18-diazaoctadecacyclo[33.10.1.02,34.03,7.08,33.09,31.012,30.013,28.016,20.016,27.020,25.023,43.024,41.026,39.029,38.032,37.036,40.042,46]hexatetraconta-1,8(33),10,13(28),14,21,23(43),24(41),26(39),29(38),32(37),34,36(40),42(46),44-pentadecaene (CID 59221279) is 5,18-dimethyl-5,18-diazaoctadecacyclo[33.10.1.02,34.03,7.08,33.09,31.012,30.013,28.016,20.016,27.020,25.023,43.024,41.026,39.029,38.032,37.036,40.042,46]hexatetraconta-1,8(33),10,13(28),14,21,23(43),24(41),26(39),29(38),32(37),34,36(40),42(46),44-pentadecaene.

What is the SMILES notation for 5,18-dimethyl-5,18-diazaoctadecacyclo[33.10.1.02,34.03,7.08,33.09,31.012,30.013,28.016,20.016,27.020,25.023,43.024,41.026,39.029,38.032,37.036,40.042,46]hexatetraconta-1,8(33),10,13(28),14,21,23(43),24(41),26(39),29(38),32(37),34,36(40),42(46),44-pentadecaene?

The canonical SMILES for 5,18-dimethyl-5,18-diazaoctadecacyclo[33.10.1.02,34.03,7.08,33.09,31.012,30.013,28.016,20.016,27.020,25.023,43.024,41.026,39.029,38.032,37.036,40.042,46]hexatetraconta-1,8(33),10,13(28),14,21,23(43),24(41),26(39),29(38),32(37),34,36(40),42(46),44-pentadecaene is CN1CC2C3=c4c5c6c7c8c9c%10c%11c(c%12ccc%13c(c4c(c69)c%13c%12%10)C2C1)C=CC12CN(C)CC14C=CC1=C(C=7C6C1C=CC3C56)C4C=8C%112.

What is the InChIKey of 5,18-dimethyl-5,18-diazaoctadecacyclo[33.10.1.02,34.03,7.08,33.09,31.012,30.013,28.016,20.016,27.020,25.023,43.024,41.026,39.029,38.032,37.036,40.042,46]hexatetraconta-1,8(33),10,13(28),14,21,23(43),24(41),26(39),29(38),32(37),34,36(40),42(46),44-pentadecaene?

The InChIKey is YBOCOWAFBPIDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-47-11-21-22(12-47)24-20-6-4-16-18-8-10-46-14-48(2)13-45(46)9-7-17-15-3-5-19-23(21)31-32(24)36-28(20)26(16)34-30(18)44(46)42-41-37-33(29(17)43(42)45)25(15)27(19)35(31)39(37)40(36)38(34)41/h3-10,15,19,21-22,25,27,43-44H,11-14H2,1-2H3.

What are the key properties of 5,18-dimethyl-5,18-diazaoctadecacyclo[33.10.1.02,34.03,7.08,33.09,31.012,30.013,28.016,20.016,27.020,25.023,43.024,41.026,39.029,38.032,37.036,40.042,46]hexatetraconta-1,8(33),10,13(28),14,21,23(43),24(41),26(39),29(38),32(37),34,36(40),42(46),44-pentadecaene?

5,18-dimethyl-5,18-diazaoctadecacyclo[33.10.1.02,34.03,7.08,33.09,31.012,30.013,28.016,20.016,27.020,25.023,43.024,41.026,39.029,38.032,37.036,40.042,46]hexatetraconta-1,8(33),10,13(28),14,21,23(43),24(41),26(39),29(38),32(37),34,36(40),42(46),44-pentadecaene has a molecular weight of 610.76 g/mol, XLogP of 5.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,18-dimethyl-5,18-diazaoctadecacyclo[33.10.1.02,34.03,7.08,33.09,31.012,30.013,28.016,20.016,27.020,25.023,43.024,41.026,39.029,38.032,37.036,40.042,46]hexatetraconta-1,8(33),10,13(28),14,21,23(43),24(41),26(39),29(38),32(37),34,36(40),42(46),44-pentadecaene is sourced from PubChem (CID 59221279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).