15,24-bis(2-octyldodecyl)-15,24-diazanonacyclo[19.15.0.02,18.03,12.06,11.013,17.022,26.027,36.028,33]hexatriaconta-1(21),2(18),3(12),4,6,8,10,13(17),19,22(26),27(36),28,30,32,34-pentadecaene-14,16,23,25-tetrone

C74H96N2O4 — CID 132594822

About 15,24-bis(2-octyldodecyl)-15,24-diazanonacyclo[19.15.0.02,18.03,12.06,11.013,17.022,26.027,36.028,33]hexatriaconta-1(21),2(18),3(12),4,6,8,10,13(17),19,22(26),27(36),28,30,32,34-pentadecaene-14,16,23,25-tetrone

15,24-bis(2-octyldodecyl)-15,24-diazanonacyclo[19.15.0.02,18.03,12.06,11.013,17.022,26.027,36.028,33]hexatriaconta-1(21),2(18),3(12),4,6,8,10,13(17),19,22(26),27(36),28,30,32,34-pentadecaene-14,16,23,25-tetrone (PubChem CID 132594822) has the molecular formula C74H96N2O4 and a molecular weight of 1077.59 g/mol. Its IUPAC name is 15,24-bis(2-octyldodecyl)-15,24-diazanonacyclo[19.15.0.02,18.03,12.06,11.013,17.022,26.027,36.028,33]hexatriaconta-1(21),2(18),3(12),4,6,8,10,13(17),19,22(26),27(36),28,30,32,34-pentadecaene-14,16,23,25-tetrone.

Molecular Properties

• Compound Name: 15,24-bis(2-octyldodecyl)-15,24-diazanonacyclo[19.15.0.02,18.03,12.06,11.013,17.022,26.027,36.028,33]hexatriaconta-1(21),2(18),3(12),4,6,8,10,13(17),19,22(26),27(36),28,30,32,34-pentadecaene-14,16,23,25-tetrone
• PubChem CID: 132594822
• Molecular Formula: C74H96N2O4
• Molecular Weight: 1077.59 g/mol
• Exact Mass: 1076.74
• IUPAC Name: 15,24-bis(2-octyldodecyl)-15,24-diazanonacyclo[19.15.0.02,18.03,12.06,11.013,17.022,26.027,36.028,33]hexatriaconta-1(21),2(18),3(12),4,6,8,10,13(17),19,22(26),27(36),28,30,32,34-pentadecaene-14,16,23,25-tetrone
• SMILES: CCCCCCCCCCC(CCCCCCCC)Cn1c(=O)c2c3ccc4c5c(=O)n(CC(CCCCCCCC)CCCCCCCCCC)c(=O)c5c5c6ccccc6ccc5c4c3c3ccc4ccccc4c3c2c1=O
• InChI: InChI=1S/C74H96N2O4/c1-5-9-13-17-21-23-27-31-39-53(37-29-25-19-15-11-7-3)51-75-71(77)67-61-49-50-62-66(65(61)59-47-45-55-41-33-35-43-57(55)63(59)69(67)73(75)79)60-48-46-56-42-34-36-44-58(56)64(60)70-68(62)72(78)76(74(70)80)52-54(38-30-26-20-16-12-8-4)40-32-28-24-22-18-14-10-6-2/h33-36,41-50,53-54H,5-32,37-40,51-52H2,1-4H3
• InChIKey: MOARWRSAWXORQX-UHFFFAOYSA-N
• XLogP: 20.63
• TPSA: 78.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 36
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1077.59
LogP ≤ 5	20.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15,24-bis(2-octyldodecyl)-15,24-diazanonacyclo[19.15.0.02,18.03,12.06,11.013,17.022,26.027,36.028,33]hexatriaconta-1(21),2(18),3(12),4,6,8,10,13(17),19,22(26),27(36),28,30,32,34-pentadecaene-14,16,23,25-tetrone?

The IUPAC name of 15,24-bis(2-octyldodecyl)-15,24-diazanonacyclo[19.15.0.02,18.03,12.06,11.013,17.022,26.027,36.028,33]hexatriaconta-1(21),2(18),3(12),4,6,8,10,13(17),19,22(26),27(36),28,30,32,34-pentadecaene-14,16,23,25-tetrone (CID 132594822) is 15,24-bis(2-octyldodecyl)-15,24-diazanonacyclo[19.15.0.02,18.03,12.06,11.013,17.022,26.027,36.028,33]hexatriaconta-1(21),2(18),3(12),4,6,8,10,13(17),19,22(26),27(36),28,30,32,34-pentadecaene-14,16,23,25-tetrone.

What is the SMILES notation for 15,24-bis(2-octyldodecyl)-15,24-diazanonacyclo[19.15.0.02,18.03,12.06,11.013,17.022,26.027,36.028,33]hexatriaconta-1(21),2(18),3(12),4,6,8,10,13(17),19,22(26),27(36),28,30,32,34-pentadecaene-14,16,23,25-tetrone?

The canonical SMILES for 15,24-bis(2-octyldodecyl)-15,24-diazanonacyclo[19.15.0.02,18.03,12.06,11.013,17.022,26.027,36.028,33]hexatriaconta-1(21),2(18),3(12),4,6,8,10,13(17),19,22(26),27(36),28,30,32,34-pentadecaene-14,16,23,25-tetrone is CCCCCCCCCCC(CCCCCCCC)Cn1c(=O)c2c3ccc4c5c(=O)n(CC(CCCCCCCC)CCCCCCCCCC)c(=O)c5c5c6ccccc6ccc5c4c3c3ccc4ccccc4c3c2c1=O.

What is the InChIKey of 15,24-bis(2-octyldodecyl)-15,24-diazanonacyclo[19.15.0.02,18.03,12.06,11.013,17.022,26.027,36.028,33]hexatriaconta-1(21),2(18),3(12),4,6,8,10,13(17),19,22(26),27(36),28,30,32,34-pentadecaene-14,16,23,25-tetrone?

The InChIKey is MOARWRSAWXORQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H96N2O4/c1-5-9-13-17-21-23-27-31-39-53(37-29-25-19-15-11-7-3)51-75-71(77)67-61-49-50-62-66(65(61)59-47-45-55-41-33-35-43-57(55)63(59)69(67)73(75)79)60-48-46-56-42-34-36-44-58(56)64(60)70-68(62)72(78)76(74(70)80)52-54(38-30-26-20-16-12-8-4)40-32-28-24-22-18-14-10-6-2/h33-36,41-50,53-54H,5-32,37-40,51-52H2,1-4H3.

What are the key properties of 15,24-bis(2-octyldodecyl)-15,24-diazanonacyclo[19.15.0.02,18.03,12.06,11.013,17.022,26.027,36.028,33]hexatriaconta-1(21),2(18),3(12),4,6,8,10,13(17),19,22(26),27(36),28,30,32,34-pentadecaene-14,16,23,25-tetrone?

15,24-bis(2-octyldodecyl)-15,24-diazanonacyclo[19.15.0.02,18.03,12.06,11.013,17.022,26.027,36.028,33]hexatriaconta-1(21),2(18),3(12),4,6,8,10,13(17),19,22(26),27(36),28,30,32,34-pentadecaene-14,16,23,25-tetrone has a molecular weight of 1077.59 g/mol, XLogP of 20.63, 36 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 15,24-bis(2-octyldodecyl)-15,24-diazanonacyclo[19.15.0.02,18.03,12.06,11.013,17.022,26.027,36.028,33]hexatriaconta-1(21),2(18),3(12),4,6,8,10,13(17),19,22(26),27(36),28,30,32,34-pentadecaene-14,16,23,25-tetrone is sourced from PubChem (CID 132594822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).