5,23-bis(2-methyl-4-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(4-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[4-(4-methyl-3-pyridinyl)phenyl]-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-(5-methyl-3-pyridinyl)phenyl]-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

C168H120N12O4P4 — CID 161340843

About 5,23-bis(2-methyl-4-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(4-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[4-(4-methyl-3-pyridinyl)phenyl]-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-(5-methyl-3-pyridinyl)phenyl]-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(2-methyl-4-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(4-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[4-(4-methyl-3-pyridinyl)phenyl]-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-(5-methyl-3-pyridinyl)phenyl]-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 161340843) has the molecular formula C168H120N12O4P4 and a molecular weight of 2494.78 g/mol. Its IUPAC name is 5,23-bis(2-methyl-4-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(4-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[4-(4-methyl-3-pyridinyl)phenyl]-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-(5-methyl-3-pyridinyl)phenyl]-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(2-methyl-4-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(4-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[4-(4-methyl-3-pyridinyl)phenyl]-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-(5-methyl-3-pyridinyl)phenyl]-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: 161340843
• Molecular Formula: C168H120N12O4P4
• Molecular Weight: 2494.78 g/mol
• Exact Mass: 2492.85
• IUPAC Name: 5,23-bis(2-methyl-4-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(4-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[4-(4-methyl-3-pyridinyl)phenyl]-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-(5-methyl-3-pyridinyl)phenyl]-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: Cc1cc(-c2ccc3c(c2)-c2ccccc2P2(=O)c4ccccc4-c4cc(-c5ccnc(C)c5)ccc4N32)ccn1.Cc1ccncc1-c1ccc(-c2ccc3c(c2)-c2ccccc2P2(=O)c4ccccc4-c4cc(-c5ccc(-c6cnccc6C)cc5)ccc4N32)cc1.Cc1ccncc1-c1ccc2c(c1)-c1ccccc1P1(=O)c3ccccc3-c3cc(-c4cnccc4C)ccc3N21.Cc1cncc(-c2ccc(-c3ccc4c(c3)-c3ccccc3P3(=O)c5ccccc5-c5cc(-c6ccc(-c7cncc(C)c7)cc6)ccc5N43)cc2)c1
• InChI: InChI=1S/2C48H34N3OP.2C36H26N3OP/c1-31-23-39(29-49-27-31)35-15-11-33(12-16-35)37-19-21-45-43(25-37)41-7-3-5-9-47(41)53(52)48-10-6-4-8-42(48)44-26-38(20-22-46(44)51(45)53)34-13-17-36(18-14-34)40-24-32(2)28-50-30-40;1-31-23-25-49-29-43(31)35-15-11-33(12-16-35)37-19-21-45-41(27-37)39-7-3-5-9-47(39)53(52)48-10-6-4-8-40(48)42-28-38(20-22-46(42)51(45)53)34-13-17-36(18-14-34)44-30-50-26-24-32(44)2;1-23-19-27(15-17-37-23)25-11-13-33-31(21-25)29-7-3-5-9-35(29)41(40)36-10-6-4-8-30(36)32-22-26(12-14-34(32)39(33)41)28-16-18-38-24(2)20-28;1-23-15-17-37-21-31(23)25-11-13-33-29(19-25)27-7-3-5-9-35(27)41(40)36-10-6-4-8-28(36)30-20-26(12-14-34(30)39(33)41)32-22-38-18-16-24(32)2/h2*3-30H,1-2H3;2*3-22H,1-2H3
• InChIKey: VMQHSDDGWWAXMN-UHFFFAOYSA-N
• XLogP: 40.49
• TPSA: 184.36 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2494.78
LogP ≤ 5	40.49
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(2-methyl-4-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(4-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[4-(4-methyl-3-pyridinyl)phenyl]-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-(5-methyl-3-pyridinyl)phenyl]-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(2-methyl-4-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(4-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[4-(4-methyl-3-pyridinyl)phenyl]-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-(5-methyl-3-pyridinyl)phenyl]-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 161340843) is 5,23-bis(2-methyl-4-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(4-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[4-(4-methyl-3-pyridinyl)phenyl]-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-(5-methyl-3-pyridinyl)phenyl]-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(2-methyl-4-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(4-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[4-(4-methyl-3-pyridinyl)phenyl]-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-(5-methyl-3-pyridinyl)phenyl]-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(2-methyl-4-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(4-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[4-(4-methyl-3-pyridinyl)phenyl]-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-(5-methyl-3-pyridinyl)phenyl]-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 Cc1cc(-c2ccc3c(c2)-c2ccccc2P2(=O)c4ccccc4-c4cc(-c5ccnc(C)c5)ccc4N32)ccn1.Cc1ccncc1-c1ccc(-c2ccc3c(c2)-c2ccccc2P2(=O)c4ccccc4-c4cc(-c5ccc(-c6cnccc6C)cc5)ccc4N32)cc1.Cc1ccncc1-c1ccc2c(c1)-c1ccccc1P1(=O)c3ccccc3-c3cc(-c4cnccc4C)ccc3N21.Cc1cncc(-c2ccc(-c3ccc4c(c3)-c3ccccc3P3(=O)c5ccccc5-c5cc(-c6ccc(-c7cncc(C)c7)cc6)ccc5N43)cc2)c1.

What is the InChIKey of 5,23-bis(2-methyl-4-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(4-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[4-(4-methyl-3-pyridinyl)phenyl]-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-(5-methyl-3-pyridinyl)phenyl]-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 VMQHSDDGWWAXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H34N3OP.2C36H26N3OP/c1-31-23-39(29-49-27-31)35-15-11-33(12-16-35)37-19-21-45-43(25-37)41-7-3-5-9-47(41)53(52)48-10-6-4-8-42(48)44-26-38(20-22-46(44)51(45)53)34-13-17-36(18-14-34)40-24-32(2)28-50-30-40;1-31-23-25-49-29-43(31)35-15-11-33(12-16-35)37-19-21-45-41(27-37)39-7-3-5-9-47(39)53(52)48-10-6-4-8-40(48)42-28-38(20-22-46(42)51(45)53)34-13-17-36(18-14-34)44-30-50-26-24-32(44)2;1-23-19-27(15-17-37-23)25-11-13-33-31(21-25)29-7-3-5-9-35(29)41(40)36-10-6-4-8-30(36)32-22-26(12-14-34(32)39(33)41)28-16-18-38-24(2)20-28;1-23-15-17-37-21-31(23)25-11-13-33-29(19-25)27-7-3-5-9-35(27)41(40)36-10-6-4-8-28(36)30-20-26(12-14-34(30)39(33)41)32-22-38-18-16-24(32)2/h2*3-30H,1-2H3;2*3-22H,1-2H3.

What are the key properties of 5,23-bis(2-methyl-4-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(4-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[4-(4-methyl-3-pyridinyl)phenyl]-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-(5-methyl-3-pyridinyl)phenyl]-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(2-methyl-4-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(4-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[4-(4-methyl-3-pyridinyl)phenyl]-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-(5-methyl-3-pyridinyl)phenyl]-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 2494.78 g/mol, XLogP of 40.49, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5,23-bis(2-methyl-4-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(4-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[4-(4-methyl-3-pyridinyl)phenyl]-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-(5-methyl-3-pyridinyl)phenyl]-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 161340843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).