4-dibenzofuran-2-yl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene

C39H22N4O2+2 — CID 157348895

About 4-dibenzofuran-2-yl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene

4-dibenzofuran-2-yl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene (PubChem CID 157348895) has the molecular formula C39H22N4O2+2 and a molecular weight of 578.63 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene.

Molecular Properties

• Compound Name: 4-dibenzofuran-2-yl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene
• PubChem CID: 157348895
• Molecular Formula: C39H22N4O2+2
• Molecular Weight: 578.63 g/mol
• Exact Mass: 578.17
• IUPAC Name: 4-dibenzofuran-2-yl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene
• SMILES: c1cc2c3c(c1)-n1c4ccccc4c4ccc[n+](c41)C31c3c(cccc3-n3cc(-c4ccc5oc6ccccc6c5c4)c[n+]31)O2
• InChI: InChI=1S/C39H22N4O2/c1-3-11-29-25(8-1)27-10-7-19-40-38(27)43(29)31-13-6-16-35-37(31)39(40)36-30(12-5-15-34(36)45-35)41-21-24(22-42(39)41)23-17-18-33-28(20-23)26-9-2-4-14-32(26)44-33/h1-22H/q+2
• InChIKey: AJCYYOCGMQKPFY-UHFFFAOYSA-N
• XLogP: 7.75
• TPSA: 39.99 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.63
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene?

The IUPAC name of 4-dibenzofuran-2-yl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene (CID 157348895) is 4-dibenzofuran-2-yl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene.

What is the SMILES notation for 4-dibenzofuran-2-yl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene?

The canonical SMILES for 4-dibenzofuran-2-yl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene is c1cc2c3c(c1)-n1c4ccccc4c4ccc[n+](c41)C31c3c(cccc3-n3cc(-c4ccc5oc6ccccc6c5c4)c[n+]31)O2.

What is the InChIKey of 4-dibenzofuran-2-yl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene?

The InChIKey is AJCYYOCGMQKPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N4O2/c1-3-11-29-25(8-1)27-10-7-19-40-38(27)43(29)31-13-6-16-35-37(31)39(40)36-30(12-5-15-34(36)45-35)41-21-24(22-42(39)41)23-17-18-33-28(20-23)26-9-2-4-14-32(26)44-33/h1-22H/q+2.

What are the key properties of 4-dibenzofuran-2-yl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene?

4-dibenzofuran-2-yl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene has a molecular weight of 578.63 g/mol, XLogP of 7.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dibenzofuran-2-yl-12-oxa-6,18-diaza-2,29-diazonianonacyclo[15.12.1.11,7.118,25.02,6.013,30.019,24.011,32.029,31]dotriaconta-2,4,7(32),8,10,13,15,17(30),19,21,23,25(31),26,28-tetradecaene is sourced from PubChem (CID 157348895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).