4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene

C39H24N4O+2 — CID 157497252

About 4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene

4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene (PubChem CID 157497252) has the molecular formula C39H24N4O+2 and a molecular weight of 564.65 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene.

Molecular Properties

• Compound Name: 4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene
• PubChem CID: 157497252
• Molecular Formula: C39H24N4O+2
• Molecular Weight: 564.65 g/mol
• Exact Mass: 564.19
• IUPAC Name: 4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene
• SMILES: c1ccc(-c2ccc(-c3cn4[n+](c3)C35c6c(cccc6-n6c7ccccc7c7ccc-4c3c76)Oc3cccc[n+]35)cc2)cc1
• InChI: InChI=1S/C39H24N4O/c1-2-9-25(10-3-1)26-16-18-27(19-17-26)28-23-41-32-21-20-30-29-11-4-5-12-31(29)43-33-13-8-14-34-36(33)39(42(41)24-28,37(32)38(30)43)40-22-7-6-15-35(40)44-34/h1-24H/q+2
• InChIKey: FBMGALFOKYOEBL-UHFFFAOYSA-N
• XLogP: 7.51
• TPSA: 26.85 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.65
LogP ≤ 5	7.51
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-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene?

The IUPAC name of 4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene (CID 157497252) is 4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene.

What is the SMILES notation for 4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene?

The canonical SMILES for 4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene is c1ccc(-c2ccc(-c3cn4[n+](c3)C35c6c(cccc6-n6c7ccccc7c7ccc-4c3c76)Oc3cccc[n+]35)cc2)cc1.

What is the InChIKey of 4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene?

The InChIKey is FBMGALFOKYOEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4O/c1-2-9-25(10-3-1)26-16-18-27(19-17-26)28-23-41-32-21-20-30-29-11-4-5-12-31(29)43-33-13-8-14-34-36(33)39(42(41)24-28,37(32)38(30)43)40-22-7-6-15-35(40)44-34/h1-24H/q+2.

What are the key properties of 4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene?

4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene has a molecular weight of 564.65 g/mol, XLogP of 7.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-phenylphenyl)-23-oxa-6,17-diaza-2,29-diazonianonacyclo[15.12.2.11,18.02,6.07,30.010,31.011,16.024,29.022,32]dotriaconta-2,4,7(30),8,10(31),11,13,15,18(32),19,21,24,26,28-tetradecaene is sourced from PubChem (CID 157497252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).