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

C72H84AgN4O4 — CID 139081803

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

silver;5,10,15,20-tetrakis(4-heptoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide (PubChem CID 139081803) has the molecular formula C72H84AgN4O4 and a molecular weight of 1177.36 g/mol. Its IUPAC name is silver;5,10,15,20-tetrakis(4-heptoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide.

Molecular Properties

• Compound Name: silver;5,10,15,20-tetrakis(4-heptoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide
• PubChem CID: 139081803
• Molecular Formula: C72H84AgN4O4
• Molecular Weight: 1177.36 g/mol
• Exact Mass: 1175.55
• IUPAC Name: silver;5,10,15,20-tetrakis(4-heptoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide
• SMILES: CCCCCCCOc1ccc([C+]2c3ccc([n-]3)[C+](c3ccc(OCCCCCCC)cc3)c3ccc([n-]3)[C+](c3ccc(OCCCCCCC)cc3)c3ccc([n-]3)[C+](c3ccc(OCCCCCCC)cc3)c3ccc2[n-]3)cc1.[Ag]
• InChI: InChI=1S/C72H84N4O4.Ag/c1-5-9-13-17-21-49-77-57-33-25-53(26-34-57)69-61-41-43-63(73-61)70(54-27-35-58(36-28-54)78-50-22-18-14-10-6-2)65-45-47-67(75-65)72(56-31-39-60(40-32-56)80-52-24-20-16-12-8-4)68-48-46-66(76-68)71(64-44-42-62(69)74-64)55-29-37-59(38-30-55)79-51-23-19-15-11-7-3;/h25-48H,5-24,49-52H2,1-4H3
• InChIKey: ZXJBPBCDYBIVFG-UHFFFAOYSA-N
• XLogP: 17.30
• TPSA: 93.32 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 32
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1177.36
LogP ≤ 5	17.30
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-heptoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?

The IUPAC name of silver;5,10,15,20-tetrakis(4-heptoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide (CID 139081803) is silver;5,10,15,20-tetrakis(4-heptoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide.

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

The canonical SMILES for silver;5,10,15,20-tetrakis(4-heptoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide is CCCCCCCOc1ccc([C+]2c3ccc([n-]3)[C+](c3ccc(OCCCCCCC)cc3)c3ccc([n-]3)[C+](c3ccc(OCCCCCCC)cc3)c3ccc([n-]3)[C+](c3ccc(OCCCCCCC)cc3)c3ccc2[n-]3)cc1.[Ag].

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

The InChIKey is ZXJBPBCDYBIVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H84N4O4.Ag/c1-5-9-13-17-21-49-77-57-33-25-53(26-34-57)69-61-41-43-63(73-61)70(54-27-35-58(36-28-54)78-50-22-18-14-10-6-2)65-45-47-67(75-65)72(56-31-39-60(40-32-56)80-52-24-20-16-12-8-4)68-48-46-66(76-68)71(64-44-42-62(69)74-64)55-29-37-59(38-30-55)79-51-23-19-15-11-7-3;/h25-48H,5-24,49-52H2,1-4H3;.

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

silver;5,10,15,20-tetrakis(4-heptoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide has a molecular weight of 1177.36 g/mol, XLogP of 17.30, 32 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-heptoxyphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide is sourced from PubChem (CID 139081803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).