4-(3-phenylphenyl)-12-oxa-3,6,23-triaza-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

C38H23N5O+2 — CID 157296255

About 4-(3-phenylphenyl)-12-oxa-3,6,23-triaza-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-(3-phenylphenyl)-12-oxa-3,6,23-triaza-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 157296255) has the molecular formula C38H23N5O+2 and a molecular weight of 565.64 g/mol. Its IUPAC name is 4-(3-phenylphenyl)-12-oxa-3,6,23-triaza-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-(3-phenylphenyl)-12-oxa-3,6,23-triaza-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: 157296255
• Molecular Formula: C38H23N5O+2
• Molecular Weight: 565.64 g/mol
• Exact Mass: 565.19
• IUPAC Name: 4-(3-phenylphenyl)-12-oxa-3,6,23-triaza-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: c1ccc(-c2cccc(-c3cn4[n+](n3)C35c6c(cccc6-4)Oc4ccc6c7ccccc7n(c6c43)-c3cccc[n+]35)c2)cc1
• InChI: InChI=1S/C38H23N5O/c1-2-10-24(11-3-1)25-12-8-13-26(22-25)29-23-41-31-16-9-17-32-35(31)38(43(41)39-29)36-33(44-32)20-19-28-27-14-4-5-15-30(27)42(37(28)36)34-18-6-7-21-40(34)38/h1-23H/q+2
• InChIKey: UWRUPHDYGUWANK-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 39.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.64
LogP ≤ 5	6.91
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-(3-phenylphenyl)-12-oxa-3,6,23-triaza-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-(3-phenylphenyl)-12-oxa-3,6,23-triaza-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 157296255) is 4-(3-phenylphenyl)-12-oxa-3,6,23-triaza-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-(3-phenylphenyl)-12-oxa-3,6,23-triaza-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-(3-phenylphenyl)-12-oxa-3,6,23-triaza-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 c1ccc(-c2cccc(-c3cn4[n+](n3)C35c6c(cccc6-4)Oc4ccc6c7ccccc7n(c6c43)-c3cccc[n+]35)c2)cc1.

What is the InChIKey of 4-(3-phenylphenyl)-12-oxa-3,6,23-triaza-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 UWRUPHDYGUWANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N5O/c1-2-10-24(11-3-1)25-12-8-13-26(22-25)29-23-41-31-16-9-17-32-35(31)38(43(41)39-29)36-33(44-32)20-19-28-27-14-4-5-15-30(27)42(37(28)36)34-18-6-7-21-40(34)38/h1-23H/q+2.

What are the key properties of 4-(3-phenylphenyl)-12-oxa-3,6,23-triaza-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-(3-phenylphenyl)-12-oxa-3,6,23-triaza-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 565.64 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-phenylphenyl)-12-oxa-3,6,23-triaza-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 157296255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).