trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium

C60H67N7O4+2 — CID 135984843

About trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium

trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium (PubChem CID 135984843) has the molecular formula C60H67N7O4+2 and a molecular weight of 950.24 g/mol. Its IUPAC name is trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium.

Molecular Properties

• Compound Name: trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium
• PubChem CID: 135984843
• Molecular Formula: C60H67N7O4+2
• Molecular Weight: 950.24 g/mol
• Exact Mass: 949.52
• IUPAC Name: trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium
• SMILES: CCCOc1ccccc1-c1c2nc(c(-c3ccccc3OCCNC)c3ccc([nH]3)c(-c3ccccc3OCC[N+](C)(C)C)c3nc(c(-c4ccccc4OCC[N+](C)(C)C)c4ccc1[nH]4)C=C3)C=C2
• InChI: InChI=1S/C60H67N7O4/c1-9-37-68-53-22-14-10-18-41(53)57-45-26-28-47(62-45)58(42-19-11-15-23-54(42)69-38-34-61-2)48-29-31-50(64-48)60(44-21-13-17-25-56(44)71-40-36-67(6,7)8)52-33-32-51(65-52)59(49-30-27-46(57)63-49)43-20-12-16-24-55(43)70-39-35-66(3,4)5/h10-33,61,63-64H,9,34-40H2,1-8H3/q+2/b57-45-,57-46-,58-47-,58-48-,59-49-,59-51-,60-50-,60-52-
• InChIKey: VZMRXEQKCYQLLY-WOVSTZFMSA-N
• XLogP: 11.88
• TPSA: 106.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	950.24
LogP ≤ 5	11.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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 trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium?

The IUPAC name of trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium (CID 135984843) is trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium.

What is the SMILES notation for trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium?

The canonical SMILES for trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium is CCCOc1ccccc1-c1c2nc(c(-c3ccccc3OCCNC)c3ccc([nH]3)c(-c3ccccc3OCC[N+](C)(C)C)c3nc(c(-c4ccccc4OCC[N+](C)(C)C)c4ccc1[nH]4)C=C3)C=C2.

What is the InChIKey of trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium?

The InChIKey is VZMRXEQKCYQLLY-WOVSTZFMSA-N. The full InChI is InChI=1S/C60H67N7O4/c1-9-37-68-53-22-14-10-18-41(53)57-45-26-28-47(62-45)58(42-19-11-15-23-54(42)69-38-34-61-2)48-29-31-50(64-48)60(44-21-13-17-25-56(44)71-40-36-67(6,7)8)52-33-32-51(65-52)59(49-30-27-46(57)63-49)43-20-12-16-24-55(43)70-39-35-66(3,4)5/h10-33,61,63-64H,9,34-40H2,1-8H3/q+2/b57-45-,57-46-,58-47-,58-48-,59-49-,59-51-,60-50-,60-52-.

What are the key properties of trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium?

trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium has a molecular weight of 950.24 g/mol, XLogP of 11.88, 19 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[2-[15-[2-[2-(methylamino)ethoxy]phenyl]-20-(2-propoxyphenyl)-10-[2-[2-(trimethylazaniumyl)ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethyl]azanium is sourced from PubChem (CID 135984843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).