5,23-bis(5-methyl-3-pyridinyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-3-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(4-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide

C174H116N12O4P4 — CID 162114840

About 5,23-bis(5-methyl-3-pyridinyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-3-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(4-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide

5,23-bis(5-methyl-3-pyridinyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-3-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(4-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide (PubChem CID 162114840) has the molecular formula C174H116N12O4P4 and a molecular weight of 2562.82 g/mol. Its IUPAC name is 5,23-bis(5-methyl-3-pyridinyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-3-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(4-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide.

Molecular Properties

• Compound Name: 5,23-bis(5-methyl-3-pyridinyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-3-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(4-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide
• PubChem CID: 162114840
• Molecular Formula: C174H116N12O4P4
• Molecular Weight: 2562.82 g/mol
• Exact Mass: 2560.82
• IUPAC Name: 5,23-bis(5-methyl-3-pyridinyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-3-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(4-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide
• SMILES: Cc1cncc(-c2ccc3c(c2)-c2ccccc2P2(=O)c4ccccc4-c4cc(-c5cncc(C)c5)ccc4N32)c1.O=P12c3ccccc3-c3cc(-c4ccc(-c5ccncc5)cc4)ccc3N1c1ccc(-c3ccc(-c4ccncc4)cc3)cc1-c1ccccc12.O=P12c3ccccc3-c3cc(-c4cccc(-c5cccnc5)c4)ccc3N1c1ccc(-c3cccc(-c4cccnc4)c3)cc1-c1ccccc12.O=P12c3ccccc3-c3cc(-c4cccc(-c5ccncc5)c4)ccc3N1c1ccc(-c3cccc(-c4ccncc4)c3)cc1-c1ccccc12
• InChI: InChI=1S/3C46H30N3OP.C36H26N3OP/c50-51-45-17-3-1-15-39(45)41-27-35(31-9-5-11-33(25-31)37-13-7-23-47-29-37)19-21-43(41)49(51)44-22-20-36(28-42(44)40-16-2-4-18-46(40)51)32-10-6-12-34(26-32)38-14-8-24-48-30-38;50-51-45-13-3-1-11-39(45)41-29-37(35-9-5-7-33(27-35)31-19-23-47-24-20-31)15-17-43(41)49(51)44-18-16-38(30-42(44)40-12-2-4-14-46(40)51)36-10-6-8-34(28-36)32-21-25-48-26-22-32;50-51-45-7-3-1-5-39(45)41-29-37(33-13-9-31(10-14-33)35-21-25-47-26-22-35)17-19-43(41)49(51)44-20-18-38(30-42(44)40-6-2-4-8-46(40)51)34-15-11-32(12-16-34)36-23-27-48-28-24-36;1-23-15-27(21-37-19-23)25-11-13-33-31(17-25)29-7-3-5-9-35(29)41(40)36-10-6-4-8-30(36)32-18-26(12-14-34(32)39(33)41)28-16-24(2)20-38-22-28/h3*1-30H;3-22H,1-2H3
• InChIKey: ZGPZICZUNBDVRH-UHFFFAOYSA-N
• XLogP: 41.97
• TPSA: 184.36 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2562.82
LogP ≤ 5	41.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,23-bis(5-methyl-3-pyridinyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-3-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(4-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide?

The IUPAC name of 5,23-bis(5-methyl-3-pyridinyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-3-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(4-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide (CID 162114840) is 5,23-bis(5-methyl-3-pyridinyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-3-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(4-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide.

What is the SMILES notation for 5,23-bis(5-methyl-3-pyridinyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-3-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(4-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide?

The canonical SMILES for 5,23-bis(5-methyl-3-pyridinyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-3-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(4-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide is Cc1cncc(-c2ccc3c(c2)-c2ccccc2P2(=O)c4ccccc4-c4cc(-c5cncc(C)c5)ccc4N32)c1.O=P12c3ccccc3-c3cc(-c4ccc(-c5ccncc5)cc4)ccc3N1c1ccc(-c3ccc(-c4ccncc4)cc3)cc1-c1ccccc12.O=P12c3ccccc3-c3cc(-c4cccc(-c5cccnc5)c4)ccc3N1c1ccc(-c3cccc(-c4cccnc4)c3)cc1-c1ccccc12.O=P12c3ccccc3-c3cc(-c4cccc(-c5ccncc5)c4)ccc3N1c1ccc(-c3cccc(-c4ccncc4)c3)cc1-c1ccccc12.

What is the InChIKey of 5,23-bis(5-methyl-3-pyridinyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-3-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(4-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide?

The InChIKey is ZGPZICZUNBDVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C46H30N3OP.C36H26N3OP/c50-51-45-17-3-1-15-39(45)41-27-35(31-9-5-11-33(25-31)37-13-7-23-47-29-37)19-21-43(41)49(51)44-22-20-36(28-42(44)40-16-2-4-18-46(40)51)32-10-6-12-34(26-32)38-14-8-24-48-30-38;50-51-45-13-3-1-11-39(45)41-29-37(35-9-5-7-33(27-35)31-19-23-47-24-20-31)15-17-43(41)49(51)44-18-16-38(30-42(44)40-12-2-4-14-46(40)51)36-10-6-8-34(28-36)32-21-25-48-26-22-32;50-51-45-7-3-1-5-39(45)41-29-37(33-13-9-31(10-14-33)35-21-25-47-26-22-35)17-19-43(41)49(51)44-20-18-38(30-42(44)40-6-2-4-8-46(40)51)34-15-11-32(12-16-34)36-23-27-48-28-24-36;1-23-15-27(21-37-19-23)25-11-13-33-31(17-25)29-7-3-5-9-35(29)41(40)36-10-6-4-8-30(36)32-18-26(12-14-34(32)39(33)41)28-16-24(2)20-38-22-28/h3*1-30H;3-22H,1-2H3.

What are the key properties of 5,23-bis(5-methyl-3-pyridinyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-3-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(4-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide?

5,23-bis(5-methyl-3-pyridinyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-3-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(4-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide has a molecular weight of 2562.82 g/mol, XLogP of 41.97, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5,23-bis(5-methyl-3-pyridinyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-3-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(3-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide;5,23-bis(4-pyridin-4-ylphenyl)-1-aza-14λ5-phosphahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene 14-oxide is sourced from PubChem (CID 162114840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).