20,22-dimethyl-15,39-diazatetradecacyclo[24.15.1.14,8.16,10.120,22.128,32.02,14.03,11.015,42.016,25.018,23.027,40.033,38.039,43]hexatetraconta-1(41),2(14),3(11),12,16,18(23),24,26(42),27(40),28,30,32(43),33,35,37-pentadecaen-19-one

C46H36N2O — CID 167125481

About 20,22-dimethyl-15,39-diazatetradecacyclo[24.15.1.14,8.16,10.120,22.128,32.02,14.03,11.015,42.016,25.018,23.027,40.033,38.039,43]hexatetraconta-1(41),2(14),3(11),12,16,18(23),24,26(42),27(40),28,30,32(43),33,35,37-pentadecaen-19-one

20,22-dimethyl-15,39-diazatetradecacyclo[24.15.1.14,8.16,10.120,22.128,32.02,14.03,11.015,42.016,25.018,23.027,40.033,38.039,43]hexatetraconta-1(41),2(14),3(11),12,16,18(23),24,26(42),27(40),28,30,32(43),33,35,37-pentadecaen-19-one (PubChem CID 167125481) has the molecular formula C46H36N2O and a molecular weight of 632.81 g/mol. Its IUPAC name is 20,22-dimethyl-15,39-diazatetradecacyclo[24.15.1.14,8.16,10.120,22.128,32.02,14.03,11.015,42.016,25.018,23.027,40.033,38.039,43]hexatetraconta-1(41),2(14),3(11),12,16,18(23),24,26(42),27(40),28,30,32(43),33,35,37-pentadecaen-19-one.

Molecular Properties

• Compound Name: 20,22-dimethyl-15,39-diazatetradecacyclo[24.15.1.14,8.16,10.120,22.128,32.02,14.03,11.015,42.016,25.018,23.027,40.033,38.039,43]hexatetraconta-1(41),2(14),3(11),12,16,18(23),24,26(42),27(40),28,30,32(43),33,35,37-pentadecaen-19-one
• PubChem CID: 167125481
• Molecular Formula: C46H36N2O
• Molecular Weight: 632.81 g/mol
• Exact Mass: 632.28
• IUPAC Name: 20,22-dimethyl-15,39-diazatetradecacyclo[24.15.1.14,8.16,10.120,22.128,32.02,14.03,11.015,42.016,25.018,23.027,40.033,38.039,43]hexatetraconta-1(41),2(14),3(11),12,16,18(23),24,26(42),27(40),28,30,32(43),33,35,37-pentadecaen-19-one
• SMILES: CC12CC(C)(C1)c1cc3c4c5c6cccc7c8ccccc8n(c5cc5c8c9c(ccc8n(c3cc1C2=O)c54)C1CC2CC(C1)CC9C2)c76
• InChI: InChI=1S/C46H36N2O/c1-45-20-46(2,21-45)44(49)30-18-36-31(17-33(30)45)41-39-29-8-5-7-28-27-6-3-4-9-34(27)47(42(28)29)37(39)19-32-40-35(48(36)43(32)41)11-10-26-24-13-22-12-23(14-24)16-25(15-22)38(26)40/h3-11,17-19,22-25H,12-16,20-21H2,1-2H3
• InChIKey: GWAVFROTXDTKBJ-UHFFFAOYSA-N
• XLogP: 11.63
• TPSA: 25.89 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.81
LogP ≤ 5	11.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 20,22-dimethyl-15,39-diazatetradecacyclo[24.15.1.14,8.16,10.120,22.128,32.02,14.03,11.015,42.016,25.018,23.027,40.033,38.039,43]hexatetraconta-1(41),2(14),3(11),12,16,18(23),24,26(42),27(40),28,30,32(43),33,35,37-pentadecaen-19-one?

The IUPAC name of 20,22-dimethyl-15,39-diazatetradecacyclo[24.15.1.14,8.16,10.120,22.128,32.02,14.03,11.015,42.016,25.018,23.027,40.033,38.039,43]hexatetraconta-1(41),2(14),3(11),12,16,18(23),24,26(42),27(40),28,30,32(43),33,35,37-pentadecaen-19-one (CID 167125481) is 20,22-dimethyl-15,39-diazatetradecacyclo[24.15.1.14,8.16,10.120,22.128,32.02,14.03,11.015,42.016,25.018,23.027,40.033,38.039,43]hexatetraconta-1(41),2(14),3(11),12,16,18(23),24,26(42),27(40),28,30,32(43),33,35,37-pentadecaen-19-one.

What is the SMILES notation for 20,22-dimethyl-15,39-diazatetradecacyclo[24.15.1.14,8.16,10.120,22.128,32.02,14.03,11.015,42.016,25.018,23.027,40.033,38.039,43]hexatetraconta-1(41),2(14),3(11),12,16,18(23),24,26(42),27(40),28,30,32(43),33,35,37-pentadecaen-19-one?

The canonical SMILES for 20,22-dimethyl-15,39-diazatetradecacyclo[24.15.1.14,8.16,10.120,22.128,32.02,14.03,11.015,42.016,25.018,23.027,40.033,38.039,43]hexatetraconta-1(41),2(14),3(11),12,16,18(23),24,26(42),27(40),28,30,32(43),33,35,37-pentadecaen-19-one is CC12CC(C)(C1)c1cc3c4c5c6cccc7c8ccccc8n(c5cc5c8c9c(ccc8n(c3cc1C2=O)c54)C1CC2CC(C1)CC9C2)c76.

What is the InChIKey of 20,22-dimethyl-15,39-diazatetradecacyclo[24.15.1.14,8.16,10.120,22.128,32.02,14.03,11.015,42.016,25.018,23.027,40.033,38.039,43]hexatetraconta-1(41),2(14),3(11),12,16,18(23),24,26(42),27(40),28,30,32(43),33,35,37-pentadecaen-19-one?

The InChIKey is GWAVFROTXDTKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2O/c1-45-20-46(2,21-45)44(49)30-18-36-31(17-33(30)45)41-39-29-8-5-7-28-27-6-3-4-9-34(27)47(42(28)29)37(39)19-32-40-35(48(36)43(32)41)11-10-26-24-13-22-12-23(14-24)16-25(15-22)38(26)40/h3-11,17-19,22-25H,12-16,20-21H2,1-2H3.

What are the key properties of 20,22-dimethyl-15,39-diazatetradecacyclo[24.15.1.14,8.16,10.120,22.128,32.02,14.03,11.015,42.016,25.018,23.027,40.033,38.039,43]hexatetraconta-1(41),2(14),3(11),12,16,18(23),24,26(42),27(40),28,30,32(43),33,35,37-pentadecaen-19-one?

20,22-dimethyl-15,39-diazatetradecacyclo[24.15.1.14,8.16,10.120,22.128,32.02,14.03,11.015,42.016,25.018,23.027,40.033,38.039,43]hexatetraconta-1(41),2(14),3(11),12,16,18(23),24,26(42),27(40),28,30,32(43),33,35,37-pentadecaen-19-one has a molecular weight of 632.81 g/mol, XLogP of 11.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 20,22-dimethyl-15,39-diazatetradecacyclo[24.15.1.14,8.16,10.120,22.128,32.02,14.03,11.015,42.016,25.018,23.027,40.033,38.039,43]hexatetraconta-1(41),2(14),3(11),12,16,18(23),24,26(42),27(40),28,30,32(43),33,35,37-pentadecaen-19-one is sourced from PubChem (CID 167125481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).