11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene

C43H24N4O+2 — CID 157270096

About 11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene

11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene (PubChem CID 157270096) has the molecular formula C43H24N4O+2 and a molecular weight of 612.69 g/mol. Its IUPAC name is 11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene.

Molecular Properties

• Compound Name: 11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene
• PubChem CID: 157270096
• Molecular Formula: C43H24N4O+2
• Molecular Weight: 612.69 g/mol
• Exact Mass: 612.19
• IUPAC Name: 11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene
• SMILES: c1ccc(-c2c3ccccc3n3c4ccc5c6c4c4c(ccc[n+]4C64c6c(ccc7c8ccccc8n(c67)-c6cccc[n+]64)O5)c23)cc1
• InChI: InChI=1S/C43H24N4O/c1-2-11-25(12-3-1)36-28-14-5-7-17-31(28)46-32-20-22-33-38-37(32)40-29(41(36)46)15-10-24-45(40)43(38)39-34(48-33)21-19-27-26-13-4-6-16-30(26)47(42(27)39)35-18-8-9-23-44(35)43/h1-24H/q+2
• InChIKey: JYKPNIYRUCBFSW-UHFFFAOYSA-N
• XLogP: 8.77
• TPSA: 26.33 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.69
LogP ≤ 5	8.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene?

The IUPAC name of 11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene (CID 157270096) is 11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene.

What is the SMILES notation for 11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene?

The canonical SMILES for 11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene is c1ccc(-c2c3ccccc3n3c4ccc5c6c4c4c(ccc[n+]4C64c6c(ccc7c8ccccc8n(c67)-c6cccc[n+]64)O5)c23)cc1.

What is the InChIKey of 11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene?

The InChIKey is JYKPNIYRUCBFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N4O/c1-2-11-25(12-3-1)36-28-14-5-7-17-31(28)46-32-20-22-33-38-37(32)40-29(41(36)46)15-10-24-45(40)43(38)39-34(48-33)21-19-27-26-13-4-6-16-30(26)47(42(27)39)35-18-8-9-23-44(35)43/h1-24H/q+2.

What are the key properties of 11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene?

11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene has a molecular weight of 612.69 g/mol, XLogP of 8.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 11-phenyl-23-oxa-18,34-diaza-5,40-diazoniadodecacyclo[25.13.2.01,5.02,22.03,19.04,9.010,18.012,17.024,41.028,33.034,42.035,40]dotetraconta-2(22),3(19),4(9),5,7,10,12,14,16,20,24(41),25,27(42),28,30,32,35,37,39-nonadecaene is sourced from PubChem (CID 157270096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).