7,14-ditert-butyl-1,20,23,38-tetramethyl-28,33-diazatridecacyclo[36.2.2.220,23.15,33.112,28.02,36.04,34.010,32.011,29.017,27.019,25.09,43.016,44]hexatetraconta-2(36),3,5(43),6,8,10(32),11(29),12,14,16(44),17,19(25),26,30,34-pentadecaene-24,37-dione

C56H56N2O2 — CID 169156688

About 7,14-ditert-butyl-1,20,23,38-tetramethyl-28,33-diazatridecacyclo[36.2.2.220,23.15,33.112,28.02,36.04,34.010,32.011,29.017,27.019,25.09,43.016,44]hexatetraconta-2(36),3,5(43),6,8,10(32),11(29),12,14,16(44),17,19(25),26,30,34-pentadecaene-24,37-dione

7,14-ditert-butyl-1,20,23,38-tetramethyl-28,33-diazatridecacyclo[36.2.2.220,23.15,33.112,28.02,36.04,34.010,32.011,29.017,27.019,25.09,43.016,44]hexatetraconta-2(36),3,5(43),6,8,10(32),11(29),12,14,16(44),17,19(25),26,30,34-pentadecaene-24,37-dione (PubChem CID 169156688) has the molecular formula C56H56N2O2 and a molecular weight of 789.08 g/mol. Its IUPAC name is 7,14-ditert-butyl-1,20,23,38-tetramethyl-28,33-diazatridecacyclo[36.2.2.220,23.15,33.112,28.02,36.04,34.010,32.011,29.017,27.019,25.09,43.016,44]hexatetraconta-2(36),3,5(43),6,8,10(32),11(29),12,14,16(44),17,19(25),26,30,34-pentadecaene-24,37-dione.

Molecular Properties

• Compound Name: 7,14-ditert-butyl-1,20,23,38-tetramethyl-28,33-diazatridecacyclo[36.2.2.220,23.15,33.112,28.02,36.04,34.010,32.011,29.017,27.019,25.09,43.016,44]hexatetraconta-2(36),3,5(43),6,8,10(32),11(29),12,14,16(44),17,19(25),26,30,34-pentadecaene-24,37-dione
• PubChem CID: 169156688
• Molecular Formula: C56H56N2O2
• Molecular Weight: 789.08 g/mol
• Exact Mass: 788.43
• IUPAC Name: 7,14-ditert-butyl-1,20,23,38-tetramethyl-28,33-diazatridecacyclo[36.2.2.220,23.15,33.112,28.02,36.04,34.010,32.011,29.017,27.019,25.09,43.016,44]hexatetraconta-2(36),3,5(43),6,8,10(32),11(29),12,14,16(44),17,19(25),26,30,34-pentadecaene-24,37-dione
• SMILES: CC12CCC(C)(CC1)c1cc3c4cc(C(C)(C)C)cc5c6c7c8cc(C(C)(C)C)cc9c%10cc%11c(cc%10n(c7ccc6n(c3cc1C2=O)c45)c98)C(=O)C1(C)CCC%11(C)CC1
• InChI: InChI=1S/C56H56N2O2/c1-51(2,3)29-21-33-31-25-39-35(49(59)55(9)17-13-53(39,7)14-18-55)27-43(31)57-41-11-12-42-46(45(41)37(23-29)47(33)57)38-24-30(52(4,5)6)22-34-32-26-40-36(28-44(32)58(42)48(34)38)50(60)56(10)19-15-54(40,8)16-20-56/h11-12,21-28H,13-20H2,1-10H3
• InChIKey: LACUVSICTWHWRR-UHFFFAOYSA-N
• XLogP: 14.65
• TPSA: 42.96 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.08
LogP ≤ 5	14.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7,14-ditert-butyl-1,20,23,38-tetramethyl-28,33-diazatridecacyclo[36.2.2.220,23.15,33.112,28.02,36.04,34.010,32.011,29.017,27.019,25.09,43.016,44]hexatetraconta-2(36),3,5(43),6,8,10(32),11(29),12,14,16(44),17,19(25),26,30,34-pentadecaene-24,37-dione?

The IUPAC name of 7,14-ditert-butyl-1,20,23,38-tetramethyl-28,33-diazatridecacyclo[36.2.2.220,23.15,33.112,28.02,36.04,34.010,32.011,29.017,27.019,25.09,43.016,44]hexatetraconta-2(36),3,5(43),6,8,10(32),11(29),12,14,16(44),17,19(25),26,30,34-pentadecaene-24,37-dione (CID 169156688) is 7,14-ditert-butyl-1,20,23,38-tetramethyl-28,33-diazatridecacyclo[36.2.2.220,23.15,33.112,28.02,36.04,34.010,32.011,29.017,27.019,25.09,43.016,44]hexatetraconta-2(36),3,5(43),6,8,10(32),11(29),12,14,16(44),17,19(25),26,30,34-pentadecaene-24,37-dione.

What is the SMILES notation for 7,14-ditert-butyl-1,20,23,38-tetramethyl-28,33-diazatridecacyclo[36.2.2.220,23.15,33.112,28.02,36.04,34.010,32.011,29.017,27.019,25.09,43.016,44]hexatetraconta-2(36),3,5(43),6,8,10(32),11(29),12,14,16(44),17,19(25),26,30,34-pentadecaene-24,37-dione?

The canonical SMILES for 7,14-ditert-butyl-1,20,23,38-tetramethyl-28,33-diazatridecacyclo[36.2.2.220,23.15,33.112,28.02,36.04,34.010,32.011,29.017,27.019,25.09,43.016,44]hexatetraconta-2(36),3,5(43),6,8,10(32),11(29),12,14,16(44),17,19(25),26,30,34-pentadecaene-24,37-dione is CC12CCC(C)(CC1)c1cc3c4cc(C(C)(C)C)cc5c6c7c8cc(C(C)(C)C)cc9c%10cc%11c(cc%10n(c7ccc6n(c3cc1C2=O)c45)c98)C(=O)C1(C)CCC%11(C)CC1.

What is the InChIKey of 7,14-ditert-butyl-1,20,23,38-tetramethyl-28,33-diazatridecacyclo[36.2.2.220,23.15,33.112,28.02,36.04,34.010,32.011,29.017,27.019,25.09,43.016,44]hexatetraconta-2(36),3,5(43),6,8,10(32),11(29),12,14,16(44),17,19(25),26,30,34-pentadecaene-24,37-dione?

The InChIKey is LACUVSICTWHWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H56N2O2/c1-51(2,3)29-21-33-31-25-39-35(49(59)55(9)17-13-53(39,7)14-18-55)27-43(31)57-41-11-12-42-46(45(41)37(23-29)47(33)57)38-24-30(52(4,5)6)22-34-32-26-40-36(28-44(32)58(42)48(34)38)50(60)56(10)19-15-54(40,8)16-20-56/h11-12,21-28H,13-20H2,1-10H3.

What are the key properties of 7,14-ditert-butyl-1,20,23,38-tetramethyl-28,33-diazatridecacyclo[36.2.2.220,23.15,33.112,28.02,36.04,34.010,32.011,29.017,27.019,25.09,43.016,44]hexatetraconta-2(36),3,5(43),6,8,10(32),11(29),12,14,16(44),17,19(25),26,30,34-pentadecaene-24,37-dione?

7,14-ditert-butyl-1,20,23,38-tetramethyl-28,33-diazatridecacyclo[36.2.2.220,23.15,33.112,28.02,36.04,34.010,32.011,29.017,27.019,25.09,43.016,44]hexatetraconta-2(36),3,5(43),6,8,10(32),11(29),12,14,16(44),17,19(25),26,30,34-pentadecaene-24,37-dione has a molecular weight of 789.08 g/mol, XLogP of 14.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7,14-ditert-butyl-1,20,23,38-tetramethyl-28,33-diazatridecacyclo[36.2.2.220,23.15,33.112,28.02,36.04,34.010,32.011,29.017,27.019,25.09,43.016,44]hexatetraconta-2(36),3,5(43),6,8,10(32),11(29),12,14,16(44),17,19(25),26,30,34-pentadecaene-24,37-dione is sourced from PubChem (CID 169156688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).