25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene

C168H110N5O3P3 — CID 159677797

About 25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene

25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene (PubChem CID 159677797) has the molecular formula C168H110N5O3P3 and a molecular weight of 2339.68 g/mol. Its IUPAC name is 25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene.

Molecular Properties

• Compound Name: 25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
• PubChem CID: 159677797
• Molecular Formula: C168H110N5O3P3
• Molecular Weight: 2339.68 g/mol
• Exact Mass: 2337.78
• IUPAC Name: 25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3c4ccccc4ccc3c3c4ccccc4c4ccccc4c32)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3cc4ccccc4cc3c3c4ccccc4c4ccccc4c32)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3ccc4ccccc4c3c3c4ccccc4c4ccccc4c32)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5c6ccccc6ccc5c5c6ccccc6c6ccccc6c54)ccc32)cc1
• InChI: InChI=1S/C42H26N2.3C42H28NOP/c1-2-13-28(14-3-1)43-38-21-11-10-18-33(38)37-26-29(23-25-39(37)43)44-41-30-15-5-4-12-27(30)22-24-36(41)40-34-19-8-6-16-31(34)32-17-7-9-20-35(32)42(40)44;44-45(32-15-3-1-4-16-32,33-17-5-2-6-18-33)34-25-23-31(24-26-34)43-40-28-30-14-8-7-13-29(30)27-39(40)41-37-21-11-9-19-35(37)36-20-10-12-22-38(36)42(41)43;44-45(31-14-3-1-4-15-31,32-16-5-2-6-17-32)33-26-24-30(25-27-33)43-41-34-18-8-7-13-29(34)23-28-39(41)40-37-21-11-9-19-35(37)36-20-10-12-22-38(36)42(40)43;44-45(31-14-3-1-4-15-31,32-16-5-2-6-17-32)33-26-24-30(25-27-33)43-39-28-23-29-13-7-8-18-34(29)40(39)41-37-21-11-9-19-35(37)36-20-10-12-22-38(36)42(41)43/h1-26H;3*1-28H
• InChIKey: MUVGGVAEAYZMNZ-UHFFFAOYSA-N
• XLogP: 40.99
• TPSA: 75.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2339.68
LogP ≤ 5	40.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?

The IUPAC name of 25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene (CID 159677797) is 25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene.

What is the SMILES notation for 25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?

The canonical SMILES for 25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene is O=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3c4ccccc4ccc3c3c4ccccc4c4ccccc4c32)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3cc4ccccc4cc3c3c4ccccc4c4ccccc4c32)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3ccc4ccccc4c3c3c4ccccc4c4ccccc4c32)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5c6ccccc6ccc5c5c6ccccc6c6ccccc6c54)ccc32)cc1.

What is the InChIKey of 25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?

The InChIKey is MUVGGVAEAYZMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2.3C42H28NOP/c1-2-13-28(14-3-1)43-38-21-11-10-18-33(38)37-26-29(23-25-39(37)43)44-41-30-15-5-4-12-27(30)22-24-36(41)40-34-19-8-6-16-31(34)32-17-7-9-20-35(32)42(40)44;44-45(32-15-3-1-4-16-32,33-17-5-2-6-18-33)34-25-23-31(24-26-34)43-40-28-30-14-8-7-13-29(30)27-39(40)41-37-21-11-9-19-35(37)36-20-10-12-22-38(36)42(41)43;44-45(31-14-3-1-4-15-31,32-16-5-2-6-17-32)33-26-24-30(25-27-33)43-41-34-18-8-7-13-29(34)23-28-39(41)40-37-21-11-9-19-35(37)36-20-10-12-22-38(36)42(40)43;44-45(31-14-3-1-4-15-31,32-16-5-2-6-17-32)33-26-24-30(25-27-33)43-39-28-23-29-13-7-8-18-34(29)40(39)41-37-21-11-9-19-35(37)36-20-10-12-22-38(36)42(41)43/h1-26H;3*1-28H.

What are the key properties of 25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene?

25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene has a molecular weight of 2339.68 g/mol, XLogP of 40.99, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,23-dodecaene;25-(4-diphenylphosphorylphenyl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene;25-(9-phenylcarbazol-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene is sourced from PubChem (CID 159677797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).