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

C182H121N9O6P6 — CID 159859302

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

7-(6-diphenylphosphorylnaphthalen-2-yl)-13-(4-diphenylphosphorylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-(4-diphenylphosphorylphenyl)-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-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-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 (PubChem CID 159859302) has the molecular formula C182H121N9O6P6 and a molecular weight of 2715.87 g/mol. Its IUPAC name is 7-(6-diphenylphosphorylnaphthalen-2-yl)-13-(4-diphenylphosphorylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-(4-diphenylphosphorylphenyl)-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-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-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.

Molecular Properties

• Compound Name: 7-(6-diphenylphosphorylnaphthalen-2-yl)-13-(4-diphenylphosphorylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-(4-diphenylphosphorylphenyl)-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-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-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
• PubChem CID: 159859302
• Molecular Formula: C182H121N9O6P6
• Molecular Weight: 2715.87 g/mol
• Exact Mass: 2713.79
• IUPAC Name: 7-(6-diphenylphosphorylnaphthalen-2-yl)-13-(4-diphenylphosphorylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-(4-diphenylphosphorylphenyl)-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-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-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
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c4ccc5ccccc5c4c4nc5ccc(-c6ccc7cc(P(=O)(c8ccccc8)c8ccccc8)ccc7c6)cc5n4c3c2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3nc4c5ccc6ccccc6c5c5ccc(-c6cnc7cc(P(=O)(c8ccccc8)c8ccccc8)ccc7c6)cc5n4c3c2)nc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3nc4c5ccccc5c5ccc6cc(-c7ccc(P(=O)(c8ccccc8)c8ccccc8)cn7)ccc6c5n4c3c2)cc1
• InChI: InChI=1S/C63H42N2O2P2.C61H40N4O2P2.C58H39N3O2P2/c66-68(50-16-5-1-6-17-50,51-18-7-2-8-19-51)54-33-27-43(28-34-54)48-31-36-57-58-37-30-44-15-13-14-24-56(44)62(58)63-64-59-38-32-49(42-61(59)65(63)60(57)41-48)45-25-26-47-40-55(35-29-46(47)39-45)69(67,52-20-9-3-10-21-52)53-22-11-4-12-23-53;66-68(46-16-5-1-6-17-46,47-18-7-2-8-19-47)50-29-25-43-35-45(39-62-57(43)38-50)42-27-31-53-58(36-42)65-59-37-44(28-33-56(59)64-61(65)54-32-26-41-15-13-14-24-52(41)60(53)54)55-34-30-51(40-63-55)69(67,48-20-9-3-10-21-48)49-22-11-4-12-23-49;62-64(44-15-5-1-6-16-44,45-17-7-2-8-18-45)48-30-25-40(26-31-48)41-29-35-55-56(38-41)61-57-50-33-28-43(37-42(50)27-34-52(57)51-23-13-14-24-53(51)58(61)60-55)54-36-32-49(39-59-54)65(63,46-19-9-3-10-20-46)47-21-11-4-12-22-47/h1-42H;1-40H;1-39H
• InChIKey: NQXVMUBJYOAABC-UHFFFAOYSA-N
• XLogP: 38.17
• TPSA: 192.99 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 24
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2715.87
LogP ≤ 5	38.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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

The IUPAC name of 7-(6-diphenylphosphorylnaphthalen-2-yl)-13-(4-diphenylphosphorylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-(4-diphenylphosphorylphenyl)-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-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-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 (CID 159859302) is 7-(6-diphenylphosphorylnaphthalen-2-yl)-13-(4-diphenylphosphorylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-(4-diphenylphosphorylphenyl)-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-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-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.

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

The canonical SMILES for 7-(6-diphenylphosphorylnaphthalen-2-yl)-13-(4-diphenylphosphorylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-(4-diphenylphosphorylphenyl)-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-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-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 is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3c4ccc5ccccc5c4c4nc5ccc(-c6ccc7cc(P(=O)(c8ccccc8)c8ccccc8)ccc7c6)cc5n4c3c2)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3nc4c5ccc6ccccc6c5c5ccc(-c6cnc7cc(P(=O)(c8ccccc8)c8ccccc8)ccc7c6)cc5n4c3c2)nc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3nc4c5ccccc5c5ccc6cc(-c7ccc(P(=O)(c8ccccc8)c8ccccc8)cn7)ccc6c5n4c3c2)cc1.

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

The InChIKey is NQXVMUBJYOAABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2O2P2.C61H40N4O2P2.C58H39N3O2P2/c66-68(50-16-5-1-6-17-50,51-18-7-2-8-19-51)54-33-27-43(28-34-54)48-31-36-57-58-37-30-44-15-13-14-24-56(44)62(58)63-64-59-38-32-49(42-61(59)65(63)60(57)41-48)45-25-26-47-40-55(35-29-46(47)39-45)69(67,52-20-9-3-10-21-52)53-22-11-4-12-23-53;66-68(46-16-5-1-6-17-46,47-18-7-2-8-19-47)50-29-25-43-35-45(39-62-57(43)38-50)42-27-31-53-58(36-42)65-59-37-44(28-33-56(59)64-61(65)54-32-26-41-15-13-14-24-52(41)60(53)54)55-34-30-51(40-63-55)69(67,48-20-9-3-10-21-48)49-22-11-4-12-23-49;62-64(44-15-5-1-6-16-44,45-17-7-2-8-18-45)48-30-25-40(26-31-48)41-29-35-55-56(38-41)61-57-50-33-28-43(37-42(50)27-34-52(57)51-23-13-14-24-53(51)58(61)60-55)54-36-32-49(39-59-54)65(63,46-19-9-3-10-20-46)47-21-11-4-12-22-47/h1-42H;1-40H;1-39H.

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

7-(6-diphenylphosphorylnaphthalen-2-yl)-13-(4-diphenylphosphorylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-(4-diphenylphosphorylphenyl)-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-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-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 has a molecular weight of 2715.87 g/mol, XLogP of 38.17, 24 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(6-diphenylphosphorylnaphthalen-2-yl)-13-(4-diphenylphosphorylphenyl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11(16),12,14,18,20,22,24-dodecaene;5-(4-diphenylphosphorylphenyl)-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-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-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 is sourced from PubChem (CID 159859302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).