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

C156H108N8O4P4 — CID 159118281

About 5-(2-methyl-4-pyridinyl)-23-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-(4-methyl-3-pyridinyl)-23-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-[4-(4-methyl-3-pyridinyl)phenyl]-23-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-[4-(5-methyl-3-pyridinyl)phenyl]-23-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-(2-methyl-4-pyridinyl)-23-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-(4-methyl-3-pyridinyl)-23-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-[4-(4-methyl-3-pyridinyl)phenyl]-23-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-[4-(5-methyl-3-pyridinyl)phenyl]-23-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 159118281) has the molecular formula C156H108N8O4P4 and a molecular weight of 2282.53 g/mol. Its IUPAC name is 5-(2-methyl-4-pyridinyl)-23-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-(4-methyl-3-pyridinyl)-23-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-[4-(4-methyl-3-pyridinyl)phenyl]-23-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-[4-(5-methyl-3-pyridinyl)phenyl]-23-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-(2-methyl-4-pyridinyl)-23-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-(4-methyl-3-pyridinyl)-23-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-[4-(4-methyl-3-pyridinyl)phenyl]-23-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-[4-(5-methyl-3-pyridinyl)phenyl]-23-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: 159118281
• Molecular Formula: C156H108N8O4P4
• Molecular Weight: 2282.53 g/mol
• Exact Mass: 2280.74
• IUPAC Name: 5-(2-methyl-4-pyridinyl)-23-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-(4-methyl-3-pyridinyl)-23-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-[4-(4-methyl-3-pyridinyl)phenyl]-23-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-[4-(5-methyl-3-pyridinyl)phenyl]-23-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(-c5ccccc5)ccc4N32)ccn1.Cc1ccncc1-c1ccc(-c2ccc3c(c2)-c2ccccc2P2(=O)c4ccccc4-c4cc(-c5ccccc5)ccc4N32)cc1.Cc1ccncc1-c1ccc2c(c1)-c1ccccc1P1(=O)c3ccccc3-c3cc(-c4ccccc4)ccc3N21.Cc1cncc(-c2ccc(-c3ccc4c(c3)-c3ccccc3P3(=O)c5ccccc5-c5cc(-c6ccccc6)ccc5N43)cc2)c1
• InChI: InChI=1S/2C42H29N2OP.2C36H25N2OP/c1-28-23-34(27-43-26-28)31-17-15-30(16-18-31)33-20-22-40-38(25-33)36-12-6-8-14-42(36)46(45)41-13-7-5-11-35(41)37-24-32(19-21-39(37)44(40)46)29-9-3-2-4-10-29;1-28-23-24-43-27-38(28)31-17-15-30(16-18-31)33-20-22-40-37(26-33)35-12-6-8-14-42(35)46(45)41-13-7-5-11-34(41)36-25-32(19-21-39(36)44(40)46)29-9-3-2-4-10-29;1-24-21-28(19-20-37-24)27-16-18-34-32(23-27)30-12-6-8-14-36(30)40(39)35-13-7-5-11-29(35)31-22-26(15-17-33(31)38(34)40)25-9-3-2-4-10-25;1-24-19-20-37-23-32(24)27-16-18-34-31(22-27)29-12-6-8-14-36(29)40(39)35-13-7-5-11-28(35)30-21-26(15-17-33(30)38(34)40)25-9-3-2-4-10-25/h2*2-27H,1H3;2*2-23H,1H3
• InChIKey: KFIYKUBURVCRIJ-UHFFFAOYSA-N
• XLogP: 38.34
• TPSA: 132.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2282.53
LogP ≤ 5	38.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-4-pyridinyl)-23-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-(4-methyl-3-pyridinyl)-23-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-[4-(4-methyl-3-pyridinyl)phenyl]-23-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-[4-(5-methyl-3-pyridinyl)phenyl]-23-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-(2-methyl-4-pyridinyl)-23-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-(4-methyl-3-pyridinyl)-23-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-[4-(4-methyl-3-pyridinyl)phenyl]-23-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-[4-(5-methyl-3-pyridinyl)phenyl]-23-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 159118281) is 5-(2-methyl-4-pyridinyl)-23-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-(4-methyl-3-pyridinyl)-23-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-[4-(4-methyl-3-pyridinyl)phenyl]-23-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-[4-(5-methyl-3-pyridinyl)phenyl]-23-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-(2-methyl-4-pyridinyl)-23-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-(4-methyl-3-pyridinyl)-23-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-[4-(4-methyl-3-pyridinyl)phenyl]-23-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-[4-(5-methyl-3-pyridinyl)phenyl]-23-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-(2-methyl-4-pyridinyl)-23-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-(4-methyl-3-pyridinyl)-23-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-[4-(4-methyl-3-pyridinyl)phenyl]-23-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-[4-(5-methyl-3-pyridinyl)phenyl]-23-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(-c5ccccc5)ccc4N32)ccn1.Cc1ccncc1-c1ccc(-c2ccc3c(c2)-c2ccccc2P2(=O)c4ccccc4-c4cc(-c5ccccc5)ccc4N32)cc1.Cc1ccncc1-c1ccc2c(c1)-c1ccccc1P1(=O)c3ccccc3-c3cc(-c4ccccc4)ccc3N21.Cc1cncc(-c2ccc(-c3ccc4c(c3)-c3ccccc3P3(=O)c5ccccc5-c5cc(-c6ccccc6)ccc5N43)cc2)c1.

What is the InChIKey of 5-(2-methyl-4-pyridinyl)-23-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-(4-methyl-3-pyridinyl)-23-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-[4-(4-methyl-3-pyridinyl)phenyl]-23-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-[4-(5-methyl-3-pyridinyl)phenyl]-23-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 KFIYKUBURVCRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H29N2OP.2C36H25N2OP/c1-28-23-34(27-43-26-28)31-17-15-30(16-18-31)33-20-22-40-38(25-33)36-12-6-8-14-42(36)46(45)41-13-7-5-11-35(41)37-24-32(19-21-39(37)44(40)46)29-9-3-2-4-10-29;1-28-23-24-43-27-38(28)31-17-15-30(16-18-31)33-20-22-40-37(26-33)35-12-6-8-14-42(35)46(45)41-13-7-5-11-34(41)36-25-32(19-21-39(36)44(40)46)29-9-3-2-4-10-29;1-24-21-28(19-20-37-24)27-16-18-34-32(23-27)30-12-6-8-14-36(30)40(39)35-13-7-5-11-29(35)31-22-26(15-17-33(31)38(34)40)25-9-3-2-4-10-25;1-24-19-20-37-23-32(24)27-16-18-34-31(22-27)29-12-6-8-14-36(29)40(39)35-13-7-5-11-28(35)30-21-26(15-17-33(30)38(34)40)25-9-3-2-4-10-25/h2*2-27H,1H3;2*2-23H,1H3.

What are the key properties of 5-(2-methyl-4-pyridinyl)-23-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-(4-methyl-3-pyridinyl)-23-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-[4-(4-methyl-3-pyridinyl)phenyl]-23-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-[4-(5-methyl-3-pyridinyl)phenyl]-23-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-(2-methyl-4-pyridinyl)-23-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-(4-methyl-3-pyridinyl)-23-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-[4-(4-methyl-3-pyridinyl)phenyl]-23-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-[4-(5-methyl-3-pyridinyl)phenyl]-23-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 2282.53 g/mol, XLogP of 38.34, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-methyl-4-pyridinyl)-23-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-(4-methyl-3-pyridinyl)-23-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-[4-(4-methyl-3-pyridinyl)phenyl]-23-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-[4-(5-methyl-3-pyridinyl)phenyl]-23-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 159118281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).