7-diphenylphosphoryl-13-(6-diphenylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-diphenylphosphoryl-22-(5-diphenylphosphoryl-2-pyridinyl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),3(8),4,6,9,11,13,15,18,20(25),21,23-dodecaene

C109H73N5O4P4 — CID 158303638

About 7-diphenylphosphoryl-13-(6-diphenylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-diphenylphosphoryl-22-(5-diphenylphosphoryl-2-pyridinyl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),3(8),4,6,9,11,13,15,18,20(25),21,23-dodecaene

7-diphenylphosphoryl-13-(6-diphenylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-diphenylphosphoryl-22-(5-diphenylphosphoryl-2-pyridinyl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),3(8),4,6,9,11,13,15,18,20(25),21,23-dodecaene (PubChem CID 158303638) has the molecular formula C109H73N5O4P4 and a molecular weight of 1640.71 g/mol. Its IUPAC name is 7-diphenylphosphoryl-13-(6-diphenylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-diphenylphosphoryl-22-(5-diphenylphosphoryl-2-pyridinyl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),3(8),4,6,9,11,13,15,18,20(25),21,23-dodecaene.

Molecular Properties

• Compound Name: 7-diphenylphosphoryl-13-(6-diphenylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-diphenylphosphoryl-22-(5-diphenylphosphoryl-2-pyridinyl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),3(8),4,6,9,11,13,15,18,20(25),21,23-dodecaene
• PubChem CID: 158303638
• Molecular Formula: C109H73N5O4P4
• Molecular Weight: 1640.71 g/mol
• Exact Mass: 1639.46
• IUPAC Name: 7-diphenylphosphoryl-13-(6-diphenylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-diphenylphosphoryl-22-(5-diphenylphosphoryl-2-pyridinyl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),3(8),4,6,9,11,13,15,18,20(25),21,23-dodecaene
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(ccc4c5ccccc5c5nc6ccc(P(=O)(c7ccccc7)c7ccccc7)cc6n5c34)c2)nc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3ccc4c5c6ccccc6ccc5c5nc6ccc(P(=O)(c7ccccc7)c7ccccc7)cc6n5c4c3)ccc2c1
• InChI: InChI=1S/C57H38N2O2P2.C52H35N3O2P2/c60-62(44-16-5-1-6-17-44,45-18-7-2-8-19-45)48-30-27-41-35-40(25-26-42(41)36-48)43-29-32-51-54(37-43)59-55-38-49(63(61,46-20-9-3-10-21-46)47-22-11-4-12-23-47)31-34-53(55)58-57(59)52-33-28-39-15-13-14-24-50(39)56(51)52;56-58(38-15-5-1-6-16-38,39-17-7-2-8-18-39)42-27-32-49-50(34-42)55-51-44-29-26-37(33-36(44)25-30-46(51)45-23-13-14-24-47(45)52(55)54-49)48-31-28-43(35-53-48)59(57,40-19-9-3-10-20-40)41-21-11-4-12-22-41/h1-38H;1-35H
• InChIKey: GMUMRQFMWTYONT-UHFFFAOYSA-N
• XLogP: 22.33
• TPSA: 115.77 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1640.71
LogP ≤ 5	22.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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 7-diphenylphosphoryl-13-(6-diphenylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-diphenylphosphoryl-22-(5-diphenylphosphoryl-2-pyridinyl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),3(8),4,6,9,11,13,15,18,20(25),21,23-dodecaene?

The IUPAC name of 7-diphenylphosphoryl-13-(6-diphenylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-diphenylphosphoryl-22-(5-diphenylphosphoryl-2-pyridinyl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),3(8),4,6,9,11,13,15,18,20(25),21,23-dodecaene (CID 158303638) is 7-diphenylphosphoryl-13-(6-diphenylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-diphenylphosphoryl-22-(5-diphenylphosphoryl-2-pyridinyl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),3(8),4,6,9,11,13,15,18,20(25),21,23-dodecaene.

What is the SMILES notation for 7-diphenylphosphoryl-13-(6-diphenylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-diphenylphosphoryl-22-(5-diphenylphosphoryl-2-pyridinyl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),3(8),4,6,9,11,13,15,18,20(25),21,23-dodecaene?

The canonical SMILES for 7-diphenylphosphoryl-13-(6-diphenylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-diphenylphosphoryl-22-(5-diphenylphosphoryl-2-pyridinyl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),3(8),4,6,9,11,13,15,18,20(25),21,23-dodecaene is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c(ccc4c5ccccc5c5nc6ccc(P(=O)(c7ccccc7)c7ccccc7)cc6n5c34)c2)nc1.O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3ccc4c5c6ccccc6ccc5c5nc6ccc(P(=O)(c7ccccc7)c7ccccc7)cc6n5c4c3)ccc2c1.

What is the InChIKey of 7-diphenylphosphoryl-13-(6-diphenylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-diphenylphosphoryl-22-(5-diphenylphosphoryl-2-pyridinyl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),3(8),4,6,9,11,13,15,18,20(25),21,23-dodecaene?

The InChIKey is GMUMRQFMWTYONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2O2P2.C52H35N3O2P2/c60-62(44-16-5-1-6-17-44,45-18-7-2-8-19-45)48-30-27-41-35-40(25-26-42(41)36-48)43-29-32-51-54(37-43)59-55-38-49(63(61,46-20-9-3-10-21-46)47-22-11-4-12-23-47)31-34-53(55)58-57(59)52-33-28-39-15-13-14-24-50(39)56(51)52;56-58(38-15-5-1-6-16-38,39-17-7-2-8-18-39)42-27-32-49-50(34-42)55-51-44-29-26-37(33-36(44)25-30-46(51)45-23-13-14-24-47(45)52(55)54-49)48-31-28-43(35-53-48)59(57,40-19-9-3-10-20-40)41-21-11-4-12-22-41/h1-38H;1-35H.

What are the key properties of 7-diphenylphosphoryl-13-(6-diphenylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-diphenylphosphoryl-22-(5-diphenylphosphoryl-2-pyridinyl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),3(8),4,6,9,11,13,15,18,20(25),21,23-dodecaene?

7-diphenylphosphoryl-13-(6-diphenylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-diphenylphosphoryl-22-(5-diphenylphosphoryl-2-pyridinyl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),3(8),4,6,9,11,13,15,18,20(25),21,23-dodecaene has a molecular weight of 1640.71 g/mol, XLogP of 22.33, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-diphenylphosphoryl-13-(6-diphenylphosphorylnaphthalen-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-diphenylphosphoryl-22-(5-diphenylphosphoryl-2-pyridinyl)-2,9-diazahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),3(8),4,6,9,11,13,15,18,20(25),21,23-dodecaene is sourced from PubChem (CID 158303638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).