9,10,11,23,24,25,37,38,39-nonapropoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene

C72H81N3O9 — CID 11062170

About 9,10,11,23,24,25,37,38,39-nonapropoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene

9,10,11,23,24,25,37,38,39-nonapropoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene (PubChem CID 11062170) has the molecular formula C72H81N3O9 and a molecular weight of 1132.45 g/mol. Its IUPAC name is 9,10,11,23,24,25,37,38,39-nonapropoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene.

Molecular Properties

• Compound Name: 9,10,11,23,24,25,37,38,39-nonapropoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene
• PubChem CID: 11062170
• Molecular Formula: C72H81N3O9
• Molecular Weight: 1132.45 g/mol
• Exact Mass: 1131.60
• IUPAC Name: 9,10,11,23,24,25,37,38,39-nonapropoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene
• SMILES: CCCOc1cc2cc3ccc4ccc5c(n4)c(ccc4ccc6c(n4)c(ccc4ccc(c3n4)c2c(OCCC)c1OCCC)cc1cc(OCCC)c(OCCC)c(OCCC)c16)cc1cc(OCCC)c(OCCC)c(OCCC)c15
• InChI: InChI=1S/C72H81N3O9/c1-10-31-76-58-43-49-40-46-19-22-52-26-29-56-62-51(45-60(78-33-12-3)68(80-35-14-5)71(62)83-38-17-8)42-48(65(56)74-52)21-24-54-27-30-57-63-50(44-59(77-32-11-2)69(81-36-15-6)72(63)84-39-18-9)41-47(66(57)75-54)20-23-53-25-28-55(64(46)73-53)61(49)70(82-37-16-7)67(58)79-34-13-4/h19-30,40-45H,10-18,31-39H2,1-9H3/b22-19-,23-20+,24-21+,46-19-,47-20+,48-21+,52-22-,53-23-,54-24-
• InChIKey: RSZJZWIIBLUYGI-ZFJFRGMWSA-N
• XLogP: 19.04
• TPSA: 121.74 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 27
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1132.45
LogP ≤ 5	19.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,10,11,23,24,25,37,38,39-nonapropoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene?

The IUPAC name of 9,10,11,23,24,25,37,38,39-nonapropoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene (CID 11062170) is 9,10,11,23,24,25,37,38,39-nonapropoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene.

What is the SMILES notation for 9,10,11,23,24,25,37,38,39-nonapropoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene?

The canonical SMILES for 9,10,11,23,24,25,37,38,39-nonapropoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene is CCCOc1cc2cc3ccc4ccc5c(n4)c(ccc4ccc6c(n4)c(ccc4ccc(c3n4)c2c(OCCC)c1OCCC)cc1cc(OCCC)c(OCCC)c(OCCC)c16)cc1cc(OCCC)c(OCCC)c(OCCC)c15.

What is the InChIKey of 9,10,11,23,24,25,37,38,39-nonapropoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene?

The InChIKey is RSZJZWIIBLUYGI-ZFJFRGMWSA-N. The full InChI is InChI=1S/C72H81N3O9/c1-10-31-76-58-43-49-40-46-19-22-52-26-29-56-62-51(45-60(78-33-12-3)68(80-35-14-5)71(62)83-38-17-8)42-48(65(56)74-52)21-24-54-27-30-57-63-50(44-59(77-32-11-2)69(81-36-15-6)72(63)84-39-18-9)41-47(66(57)75-54)20-23-53-25-28-55(64(46)73-53)61(49)70(82-37-16-7)67(58)79-34-13-4/h19-30,40-45H,10-18,31-39H2,1-9H3/b22-19-,23-20+,24-21+,46-19-,47-20+,48-21+,52-22-,53-23-,54-24-.

What are the key properties of 9,10,11,23,24,25,37,38,39-nonapropoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene?

9,10,11,23,24,25,37,38,39-nonapropoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene has a molecular weight of 1132.45 g/mol, XLogP of 19.04, 27 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9,10,11,23,24,25,37,38,39-nonapropoxy-5,19,44-triazadecacyclo[30.10.2.24,7.218,21.06,15.08,13.020,29.022,27.035,43.036,41]octatetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32(44),33,35(43),36,38,40,45,47-tetracosaene is sourced from PubChem (CID 11062170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).