29-phenyl-11,18,29-triazaundecacyclo[18.15.1.14,31.02,7.03,33.09,36.010,18.012,17.022,35.025,34.027,32]heptatriaconta-1,3(33),4(37),5,7,9(36),10,12,14,16,20,22(35),25(34),26,31-pentadecaene-19,28,30-trione

C40H19N3O3 — CID 145192270

About 29-phenyl-11,18,29-triazaundecacyclo[18.15.1.14,31.02,7.03,33.09,36.010,18.012,17.022,35.025,34.027,32]heptatriaconta-1,3(33),4(37),5,7,9(36),10,12,14,16,20,22(35),25(34),26,31-pentadecaene-19,28,30-trione

29-phenyl-11,18,29-triazaundecacyclo[18.15.1.14,31.02,7.03,33.09,36.010,18.012,17.022,35.025,34.027,32]heptatriaconta-1,3(33),4(37),5,7,9(36),10,12,14,16,20,22(35),25(34),26,31-pentadecaene-19,28,30-trione (PubChem CID 145192270) has the molecular formula C40H19N3O3 and a molecular weight of 589.61 g/mol. Its IUPAC name is 29-phenyl-11,18,29-triazaundecacyclo[18.15.1.14,31.02,7.03,33.09,36.010,18.012,17.022,35.025,34.027,32]heptatriaconta-1,3(33),4(37),5,7,9(36),10,12,14,16,20,22(35),25(34),26,31-pentadecaene-19,28,30-trione.

Molecular Properties

• Compound Name: 29-phenyl-11,18,29-triazaundecacyclo[18.15.1.14,31.02,7.03,33.09,36.010,18.012,17.022,35.025,34.027,32]heptatriaconta-1,3(33),4(37),5,7,9(36),10,12,14,16,20,22(35),25(34),26,31-pentadecaene-19,28,30-trione
• PubChem CID: 145192270
• Molecular Formula: C40H19N3O3
• Molecular Weight: 589.61 g/mol
• Exact Mass: 589.14
• IUPAC Name: 29-phenyl-11,18,29-triazaundecacyclo[18.15.1.14,31.02,7.03,33.09,36.010,18.012,17.022,35.025,34.027,32]heptatriaconta-1,3(33),4(37),5,7,9(36),10,12,14,16,20,22(35),25(34),26,31-pentadecaene-19,28,30-trione
• SMILES: O=C1c2cc3c4c5c(cc6c(=O)n7c8ccccc8nc7c7cc8ccc9cc(c2c4c9c8c5c67)C(=O)N1c1ccccc1)CC3
• InChI: InChI=1S/C40H19N3O3/c44-38-25-16-20-11-10-18-14-23-33-24(40(46)43-28-9-5-4-8-27(28)41-37(23)43)15-19-12-13-21-17-26(39(45)42(38)22-6-2-1-3-7-22)34(25)36-31(20)29(18)35(33)30(19)32(21)36/h1-11,14-17H,12-13H2
• InChIKey: UBCPVMYVYGVXFH-UHFFFAOYSA-N
• XLogP: 7.98
• TPSA: 71.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.61
LogP ≤ 5	7.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 29-phenyl-11,18,29-triazaundecacyclo[18.15.1.14,31.02,7.03,33.09,36.010,18.012,17.022,35.025,34.027,32]heptatriaconta-1,3(33),4(37),5,7,9(36),10,12,14,16,20,22(35),25(34),26,31-pentadecaene-19,28,30-trione?

The IUPAC name of 29-phenyl-11,18,29-triazaundecacyclo[18.15.1.14,31.02,7.03,33.09,36.010,18.012,17.022,35.025,34.027,32]heptatriaconta-1,3(33),4(37),5,7,9(36),10,12,14,16,20,22(35),25(34),26,31-pentadecaene-19,28,30-trione (CID 145192270) is 29-phenyl-11,18,29-triazaundecacyclo[18.15.1.14,31.02,7.03,33.09,36.010,18.012,17.022,35.025,34.027,32]heptatriaconta-1,3(33),4(37),5,7,9(36),10,12,14,16,20,22(35),25(34),26,31-pentadecaene-19,28,30-trione.

What is the SMILES notation for 29-phenyl-11,18,29-triazaundecacyclo[18.15.1.14,31.02,7.03,33.09,36.010,18.012,17.022,35.025,34.027,32]heptatriaconta-1,3(33),4(37),5,7,9(36),10,12,14,16,20,22(35),25(34),26,31-pentadecaene-19,28,30-trione?

The canonical SMILES for 29-phenyl-11,18,29-triazaundecacyclo[18.15.1.14,31.02,7.03,33.09,36.010,18.012,17.022,35.025,34.027,32]heptatriaconta-1,3(33),4(37),5,7,9(36),10,12,14,16,20,22(35),25(34),26,31-pentadecaene-19,28,30-trione is O=C1c2cc3c4c5c(cc6c(=O)n7c8ccccc8nc7c7cc8ccc9cc(c2c4c9c8c5c67)C(=O)N1c1ccccc1)CC3.

What is the InChIKey of 29-phenyl-11,18,29-triazaundecacyclo[18.15.1.14,31.02,7.03,33.09,36.010,18.012,17.022,35.025,34.027,32]heptatriaconta-1,3(33),4(37),5,7,9(36),10,12,14,16,20,22(35),25(34),26,31-pentadecaene-19,28,30-trione?

The InChIKey is UBCPVMYVYGVXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H19N3O3/c44-38-25-16-20-11-10-18-14-23-33-24(40(46)43-28-9-5-4-8-27(28)41-37(23)43)15-19-12-13-21-17-26(39(45)42(38)22-6-2-1-3-7-22)34(25)36-31(20)29(18)35(33)30(19)32(21)36/h1-11,14-17H,12-13H2.

What are the key properties of 29-phenyl-11,18,29-triazaundecacyclo[18.15.1.14,31.02,7.03,33.09,36.010,18.012,17.022,35.025,34.027,32]heptatriaconta-1,3(33),4(37),5,7,9(36),10,12,14,16,20,22(35),25(34),26,31-pentadecaene-19,28,30-trione?

29-phenyl-11,18,29-triazaundecacyclo[18.15.1.14,31.02,7.03,33.09,36.010,18.012,17.022,35.025,34.027,32]heptatriaconta-1,3(33),4(37),5,7,9(36),10,12,14,16,20,22(35),25(34),26,31-pentadecaene-19,28,30-trione has a molecular weight of 589.61 g/mol, XLogP of 7.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 29-phenyl-11,18,29-triazaundecacyclo[18.15.1.14,31.02,7.03,33.09,36.010,18.012,17.022,35.025,34.027,32]heptatriaconta-1,3(33),4(37),5,7,9(36),10,12,14,16,20,22(35),25(34),26,31-pentadecaene-19,28,30-trione is sourced from PubChem (CID 145192270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).