4-fluoranthen-8-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene

C43H24N4O+2 — CID 158074933

About 4-fluoranthen-8-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene

4-fluoranthen-8-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene (PubChem CID 158074933) has the molecular formula C43H24N4O+2 and a molecular weight of 612.69 g/mol. Its IUPAC name is 4-fluoranthen-8-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 4-fluoranthen-8-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
• PubChem CID: 158074933
• Molecular Formula: C43H24N4O+2
• Molecular Weight: 612.69 g/mol
• Exact Mass: 612.19
• IUPAC Name: 4-fluoranthen-8-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene
• SMILES: c1cc2c3c(c1)-n1cc(-c4ccc5c(c4)-c4cccc6cccc-5c46)c[n+]1C31c3c(ccc4c5ccccc5n(c34)-c3cccc[n+]31)O2
• InChI: InChI=1S/C43H24N4O/c1-2-13-34-29(10-1)32-19-20-37-41-42(32)47(34)38-16-3-4-21-44(38)43(41)40-35(14-7-15-36(40)48-37)45-23-27(24-46(43)45)26-17-18-28-30-11-5-8-25-9-6-12-31(39(25)30)33(28)22-26/h1-24H/q+2
• InChIKey: QHTTZRAAMCBDMM-UHFFFAOYSA-N
• XLogP: 8.65
• TPSA: 26.85 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	8.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-fluoranthen-8-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene?

The IUPAC name of 4-fluoranthen-8-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene (CID 158074933) is 4-fluoranthen-8-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene.

What is the SMILES notation for 4-fluoranthen-8-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene?

The canonical SMILES for 4-fluoranthen-8-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene is c1cc2c3c(c1)-n1cc(-c4ccc5c(c4)-c4cccc6cccc-5c46)c[n+]1C31c3c(ccc4c5ccccc5n(c34)-c3cccc[n+]31)O2.

What is the InChIKey of 4-fluoranthen-8-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene?

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

What are the key properties of 4-fluoranthen-8-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene?

4-fluoranthen-8-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene has a molecular weight of 612.69 g/mol, XLogP of 8.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoranthen-8-yl-12-oxa-6,23-diaza-2,29-diazonianonacyclo[14.13.2.11,7.02,6.013,30.017,22.023,31.024,29.011,32]dotriaconta-2,4,7(32),8,10,13(30),14,16(31),17,19,21,24,26,28-tetradecaene is sourced from PubChem (CID 158074933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).