8,16,24-triphenyl-7,9,15,17,23,25,55,57-octaoxa-50,51,52,53-tetraza-8λ5,16λ5,24λ5-triphospha-56-phosphoniatridecacyclo[29.14.4.34,28.12,6.110,14.118,22.126,30.132,35.137,40.142,45.146,49.012,41.020,36]hexaconta-2,4,6(60),10(59),11,13,18,20,22(58),26(54),27,29,32,34,37,39,42,44,46,48-icosaene 8,16,24,56-tetraoxide

C62H43N4O12P4+ — CID 122429408

About 8,16,24-triphenyl-7,9,15,17,23,25,55,57-octaoxa-50,51,52,53-tetraza-8λ5,16λ5,24λ5-triphospha-56-phosphoniatridecacyclo[29.14.4.34,28.12,6.110,14.118,22.126,30.132,35.137,40.142,45.146,49.012,41.020,36]hexaconta-2,4,6(60),10(59),11,13,18,20,22(58),26(54),27,29,32,34,37,39,42,44,46,48-icosaene 8,16,24,56-tetraoxide

8,16,24-triphenyl-7,9,15,17,23,25,55,57-octaoxa-50,51,52,53-tetraza-8λ5,16λ5,24λ5-triphospha-56-phosphoniatridecacyclo[29.14.4.34,28.12,6.110,14.118,22.126,30.132,35.137,40.142,45.146,49.012,41.020,36]hexaconta-2,4,6(60),10(59),11,13,18,20,22(58),26(54),27,29,32,34,37,39,42,44,46,48-icosaene 8,16,24,56-tetraoxide (PubChem CID 122429408) has the molecular formula C62H43N4O12P4+ and a molecular weight of 1159.94 g/mol. Its IUPAC name is 8,16,24-triphenyl-7,9,15,17,23,25,55,57-octaoxa-50,51,52,53-tetraza-8λ5,16λ5,24λ5-triphospha-56-phosphoniatridecacyclo[29.14.4.34,28.12,6.110,14.118,22.126,30.132,35.137,40.142,45.146,49.012,41.020,36]hexaconta-2,4,6(60),10(59),11,13,18,20,22(58),26(54),27,29,32,34,37,39,42,44,46,48-icosaene 8,16,24,56-tetraoxide.

Molecular Properties

• Compound Name: 8,16,24-triphenyl-7,9,15,17,23,25,55,57-octaoxa-50,51,52,53-tetraza-8λ5,16λ5,24λ5-triphospha-56-phosphoniatridecacyclo[29.14.4.34,28.12,6.110,14.118,22.126,30.132,35.137,40.142,45.146,49.012,41.020,36]hexaconta-2,4,6(60),10(59),11,13,18,20,22(58),26(54),27,29,32,34,37,39,42,44,46,48-icosaene 8,16,24,56-tetraoxide
• PubChem CID: 122429408
• Molecular Formula: C62H43N4O12P4+
• Molecular Weight: 1159.94 g/mol
• Exact Mass: 1159.18
• IUPAC Name: 8,16,24-triphenyl-7,9,15,17,23,25,55,57-octaoxa-50,51,52,53-tetraza-8λ5,16λ5,24λ5-triphospha-56-phosphoniatridecacyclo[29.14.4.34,28.12,6.110,14.118,22.126,30.132,35.137,40.142,45.146,49.012,41.020,36]hexaconta-2,4,6(60),10(59),11,13,18,20,22(58),26(54),27,29,32,34,37,39,42,44,46,48-icosaene 8,16,24,56-tetraoxide
• SMILES: O=[P+]1Oc2cc3cc(c2)C2c4ccc([nH]4)C4C5=C/C(=C/C(=C/5)OP(=O)(c5ccccc5)Oc5cc6cc(c5)C(c5ccc4[nH]5)c4ccc([nH]4)C(c4cc(cc(c4)OP(=O)(c4ccccc4)O6)O1)c1ccc2[nH]1)OP(=O)(c1ccccc1)O3
• InChI: InChI=1S/C62H43N4O12P4/c67-79-71-40-24-36-26-42(32-40)73-80(68,48-10-4-1-5-11-48)75-44-28-38-30-46(34-44)77-82(70,50-14-8-3-9-15-50)78-47-31-39-29-45(35-47)76-81(69,49-12-6-2-7-13-49)74-43-27-37(25-41(33-43)72-79)60-52-17-16-51(63-52)59(36)53-18-20-55(64-53)61(38)57-22-23-58(66-57)62(39)56-21-19-54(60)65-56/h1-35,59-66H/q+1
• InChIKey: OWWXRIHGJUTOJT-UHFFFAOYSA-N
• XLogP: 14.27
• TPSA: 205.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 3
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1159.94
LogP ≤ 5	14.27
H-Bond Donors ≤ 5	4
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 8,16,24-triphenyl-7,9,15,17,23,25,55,57-octaoxa-50,51,52,53-tetraza-8λ5,16λ5,24λ5-triphospha-56-phosphoniatridecacyclo[29.14.4.34,28.12,6.110,14.118,22.126,30.132,35.137,40.142,45.146,49.012,41.020,36]hexaconta-2,4,6(60),10(59),11,13,18,20,22(58),26(54),27,29,32,34,37,39,42,44,46,48-icosaene 8,16,24,56-tetraoxide?

The IUPAC name of 8,16,24-triphenyl-7,9,15,17,23,25,55,57-octaoxa-50,51,52,53-tetraza-8λ5,16λ5,24λ5-triphospha-56-phosphoniatridecacyclo[29.14.4.34,28.12,6.110,14.118,22.126,30.132,35.137,40.142,45.146,49.012,41.020,36]hexaconta-2,4,6(60),10(59),11,13,18,20,22(58),26(54),27,29,32,34,37,39,42,44,46,48-icosaene 8,16,24,56-tetraoxide (CID 122429408) is 8,16,24-triphenyl-7,9,15,17,23,25,55,57-octaoxa-50,51,52,53-tetraza-8λ5,16λ5,24λ5-triphospha-56-phosphoniatridecacyclo[29.14.4.34,28.12,6.110,14.118,22.126,30.132,35.137,40.142,45.146,49.012,41.020,36]hexaconta-2,4,6(60),10(59),11,13,18,20,22(58),26(54),27,29,32,34,37,39,42,44,46,48-icosaene 8,16,24,56-tetraoxide.

What is the SMILES notation for 8,16,24-triphenyl-7,9,15,17,23,25,55,57-octaoxa-50,51,52,53-tetraza-8λ5,16λ5,24λ5-triphospha-56-phosphoniatridecacyclo[29.14.4.34,28.12,6.110,14.118,22.126,30.132,35.137,40.142,45.146,49.012,41.020,36]hexaconta-2,4,6(60),10(59),11,13,18,20,22(58),26(54),27,29,32,34,37,39,42,44,46,48-icosaene 8,16,24,56-tetraoxide?

The canonical SMILES for 8,16,24-triphenyl-7,9,15,17,23,25,55,57-octaoxa-50,51,52,53-tetraza-8λ5,16λ5,24λ5-triphospha-56-phosphoniatridecacyclo[29.14.4.34,28.12,6.110,14.118,22.126,30.132,35.137,40.142,45.146,49.012,41.020,36]hexaconta-2,4,6(60),10(59),11,13,18,20,22(58),26(54),27,29,32,34,37,39,42,44,46,48-icosaene 8,16,24,56-tetraoxide is O=[P+]1Oc2cc3cc(c2)C2c4ccc([nH]4)C4C5=C/C(=C/C(=C/5)OP(=O)(c5ccccc5)Oc5cc6cc(c5)C(c5ccc4[nH]5)c4ccc([nH]4)C(c4cc(cc(c4)OP(=O)(c4ccccc4)O6)O1)c1ccc2[nH]1)OP(=O)(c1ccccc1)O3.

What is the InChIKey of 8,16,24-triphenyl-7,9,15,17,23,25,55,57-octaoxa-50,51,52,53-tetraza-8λ5,16λ5,24λ5-triphospha-56-phosphoniatridecacyclo[29.14.4.34,28.12,6.110,14.118,22.126,30.132,35.137,40.142,45.146,49.012,41.020,36]hexaconta-2,4,6(60),10(59),11,13,18,20,22(58),26(54),27,29,32,34,37,39,42,44,46,48-icosaene 8,16,24,56-tetraoxide?

The InChIKey is OWWXRIHGJUTOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N4O12P4/c67-79-71-40-24-36-26-42(32-40)73-80(68,48-10-4-1-5-11-48)75-44-28-38-30-46(34-44)77-82(70,50-14-8-3-9-15-50)78-47-31-39-29-45(35-47)76-81(69,49-12-6-2-7-13-49)74-43-27-37(25-41(33-43)72-79)60-52-17-16-51(63-52)59(36)53-18-20-55(64-53)61(38)57-22-23-58(66-57)62(39)56-21-19-54(60)65-56/h1-35,59-66H/q+1.

What are the key properties of 8,16,24-triphenyl-7,9,15,17,23,25,55,57-octaoxa-50,51,52,53-tetraza-8λ5,16λ5,24λ5-triphospha-56-phosphoniatridecacyclo[29.14.4.34,28.12,6.110,14.118,22.126,30.132,35.137,40.142,45.146,49.012,41.020,36]hexaconta-2,4,6(60),10(59),11,13,18,20,22(58),26(54),27,29,32,34,37,39,42,44,46,48-icosaene 8,16,24,56-tetraoxide?

8,16,24-triphenyl-7,9,15,17,23,25,55,57-octaoxa-50,51,52,53-tetraza-8λ5,16λ5,24λ5-triphospha-56-phosphoniatridecacyclo[29.14.4.34,28.12,6.110,14.118,22.126,30.132,35.137,40.142,45.146,49.012,41.020,36]hexaconta-2,4,6(60),10(59),11,13,18,20,22(58),26(54),27,29,32,34,37,39,42,44,46,48-icosaene 8,16,24,56-tetraoxide has a molecular weight of 1159.94 g/mol, XLogP of 14.27, 3 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8,16,24-triphenyl-7,9,15,17,23,25,55,57-octaoxa-50,51,52,53-tetraza-8λ5,16λ5,24λ5-triphospha-56-phosphoniatridecacyclo[29.14.4.34,28.12,6.110,14.118,22.126,30.132,35.137,40.142,45.146,49.012,41.020,36]hexaconta-2,4,6(60),10(59),11,13,18,20,22(58),26(54),27,29,32,34,37,39,42,44,46,48-icosaene 8,16,24,56-tetraoxide is sourced from PubChem (CID 122429408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).