copper trimethyl-[3-[4-[10,15,20-tris[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]azanium

C68H86CuN8O4+6 — CID 10011498

About copper trimethyl-[3-[4-[10,15,20-tris[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]azanium

copper trimethyl-[3-[4-[10,15,20-tris[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]azanium (PubChem CID 10011498) has the molecular formula C68H86CuN8O4+6 and a molecular weight of 1143.03 g/mol. Its IUPAC name is copper trimethyl-[3-[4-[10,15,20-tris[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]azanium.

Molecular Properties

• Compound Name: copper trimethyl-[3-[4-[10,15,20-tris[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]azanium
• PubChem CID: 10011498
• Molecular Formula: C68H86CuN8O4+6
• Molecular Weight: 1143.03 g/mol
• Exact Mass: 1141.60
• IUPAC Name: copper trimethyl-[3-[4-[10,15,20-tris[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]azanium
• SMILES: C[N+](C)(C)CCCOc1ccc(-c2c3nc(c(-c4ccc(OCCC[N+](C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(OCCC[N+](C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(OCCC[N+](C)(C)C)cc4)c4nc2C=C4)C=C3)cc1.[Cu+2]
• InChI: InChI=1S/C68H86N8O4.Cu/c1-73(2,3)41-13-45-77-53-25-17-49(18-26-53)65-57-33-35-59(69-57)66(50-19-27-54(28-20-50)78-46-14-42-74(4,5)6)61-37-39-63(71-61)68(52-23-31-56(32-24-52)80-48-16-44-76(10,11)12)64-40-38-62(72-64)67(60-36-34-58(65)70-60)51-21-29-55(30-22-51)79-47-15-43-75(7,8)9;/h17-40,69-70H,13-16,41-48H2,1-12H3;/q+4;+2/b65-57-,65-58-,66-59-,66-61-,67-60-,67-62-,68-63-,68-64-
• InChIKey: OVGPSHCODUXKGP-GIZPQBOTSA-N
• XLogP: 13.22
• TPSA: 94.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 24
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1143.03
LogP ≤ 5	13.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of copper trimethyl-[3-[4-[10,15,20-tris[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]azanium?

The IUPAC name of copper trimethyl-[3-[4-[10,15,20-tris[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]azanium (CID 10011498) is copper trimethyl-[3-[4-[10,15,20-tris[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]azanium.

What is the SMILES notation for copper trimethyl-[3-[4-[10,15,20-tris[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]azanium?

The canonical SMILES for copper trimethyl-[3-[4-[10,15,20-tris[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]azanium is C[N+](C)(C)CCCOc1ccc(-c2c3nc(c(-c4ccc(OCCC[N+](C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(OCCC[N+](C)(C)C)cc4)c4ccc([nH]4)c(-c4ccc(OCCC[N+](C)(C)C)cc4)c4nc2C=C4)C=C3)cc1.[Cu+2].

What is the InChIKey of copper trimethyl-[3-[4-[10,15,20-tris[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]azanium?

The InChIKey is OVGPSHCODUXKGP-GIZPQBOTSA-N. The full InChI is InChI=1S/C68H86N8O4.Cu/c1-73(2,3)41-13-45-77-53-25-17-49(18-26-53)65-57-33-35-59(69-57)66(50-19-27-54(28-20-50)78-46-14-42-74(4,5)6)61-37-39-63(71-61)68(52-23-31-56(32-24-52)80-48-16-44-76(10,11)12)64-40-38-62(72-64)67(60-36-34-58(65)70-60)51-21-29-55(30-22-51)79-47-15-43-75(7,8)9;/h17-40,69-70H,13-16,41-48H2,1-12H3;/q+4;+2/b65-57-,65-58-,66-59-,66-61-,67-60-,67-62-,68-63-,68-64-;.

What are the key properties of copper trimethyl-[3-[4-[10,15,20-tris[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]azanium?

copper trimethyl-[3-[4-[10,15,20-tris[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]azanium has a molecular weight of 1143.03 g/mol, XLogP of 13.22, 24 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for copper trimethyl-[3-[4-[10,15,20-tris[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]azanium is sourced from PubChem (CID 10011498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).