silver;5,10,15,20-tetrakis(4-pentoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide

C64H68AgN4O4 — CID 139072140

About silver;5,10,15,20-tetrakis(4-pentoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide

silver;5,10,15,20-tetrakis(4-pentoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide (PubChem CID 139072140) has the molecular formula C64H68AgN4O4 and a molecular weight of 1065.14 g/mol. Its IUPAC name is silver;5,10,15,20-tetrakis(4-pentoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide.

Molecular Properties

• Compound Name: silver;5,10,15,20-tetrakis(4-pentoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide
• PubChem CID: 139072140
• Molecular Formula: C64H68AgN4O4
• Molecular Weight: 1065.14 g/mol
• Exact Mass: 1063.43
• IUPAC Name: silver;5,10,15,20-tetrakis(4-pentoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide
• SMILES: CCCCCOc1ccc([C+]2c3ccc([n-]3)[C+](c3ccc(OCCCCC)cc3)c3ccc([n-]3)[C+](c3ccc(OCCCCC)cc3)c3ccc([n-]3)[C+](c3ccc(OCCCCC)cc3)c3ccc2[n-]3)cc1.[Ag]
• InChI: InChI=1S/C64H68N4O4.Ag/c1-5-9-13-41-69-49-25-17-45(18-26-49)61-53-33-35-55(65-53)62(46-19-27-50(28-20-46)70-42-14-10-6-2)57-37-39-59(67-57)64(48-23-31-52(32-24-48)72-44-16-12-8-4)60-40-38-58(68-60)63(56-36-34-54(61)66-56)47-21-29-51(30-22-47)71-43-15-11-7-3;/h17-40H,5-16,41-44H2,1-4H3
• InChIKey: XMNVDRBAZHSLIK-UHFFFAOYSA-N
• XLogP: 14.18
• TPSA: 93.32 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 24
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1065.14
LogP ≤ 5	14.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of silver;5,10,15,20-tetrakis(4-pentoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?

The IUPAC name of silver;5,10,15,20-tetrakis(4-pentoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide (CID 139072140) is silver;5,10,15,20-tetrakis(4-pentoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide.

What is the SMILES notation for silver;5,10,15,20-tetrakis(4-pentoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?

The canonical SMILES for silver;5,10,15,20-tetrakis(4-pentoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide is CCCCCOc1ccc([C+]2c3ccc([n-]3)[C+](c3ccc(OCCCCC)cc3)c3ccc([n-]3)[C+](c3ccc(OCCCCC)cc3)c3ccc([n-]3)[C+](c3ccc(OCCCCC)cc3)c3ccc2[n-]3)cc1.[Ag].

What is the InChIKey of silver;5,10,15,20-tetrakis(4-pentoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?

The InChIKey is XMNVDRBAZHSLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H68N4O4.Ag/c1-5-9-13-41-69-49-25-17-45(18-26-49)61-53-33-35-55(65-53)62(46-19-27-50(28-20-46)70-42-14-10-6-2)57-37-39-59(67-57)64(48-23-31-52(32-24-48)72-44-16-12-8-4)60-40-38-58(68-60)63(56-36-34-54(61)66-56)47-21-29-51(30-22-47)71-43-15-11-7-3;/h17-40H,5-16,41-44H2,1-4H3;.

What are the key properties of silver;5,10,15,20-tetrakis(4-pentoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?

silver;5,10,15,20-tetrakis(4-pentoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide has a molecular weight of 1065.14 g/mol, XLogP of 14.18, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for silver;5,10,15,20-tetrakis(4-pentoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide is sourced from PubChem (CID 139072140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).