zinc 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]-N,N-dimethylethanamine

C66H75N7O4Zn — CID 58261019

About zinc 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]-N,N-dimethylethanamine

zinc 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]-N,N-dimethylethanamine (PubChem CID 58261019) has the molecular formula C66H75N7O4Zn and a molecular weight of 1095.76 g/mol. Its IUPAC name is zinc 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: zinc 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]-N,N-dimethylethanamine
• PubChem CID: 58261019
• Molecular Formula: C66H75N7O4Zn
• Molecular Weight: 1095.76 g/mol
• Exact Mass: 1093.52
• IUPAC Name: zinc 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]-N,N-dimethylethanamine
• SMILES: CCCCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCN(C)C)cc4)c4ccc([n-]4)c(-c4ccc(OCCN(C)C)cc4)c4nc(c(-c5ccc(OCCN(C)C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.[Zn+2]
• InChI: InChI=1S/C66H75N7O4.Zn/c1-8-9-10-11-12-13-14-15-43-74-51-24-16-47(17-25-51)63-55-32-34-57(67-55)64(48-18-26-52(27-19-48)75-44-40-71(2)3)59-36-38-61(69-59)66(50-22-30-54(31-23-50)77-46-42-73(6)7)62-39-37-60(70-62)65(58-35-33-56(63)68-58)49-20-28-53(29-21-49)76-45-41-72(4)5;/h16-39H,8-15,40-46H2,1-7H3;/q-2;+2/b63-55-,63-56-,64-57-,64-59-,65-58-,65-60-,66-61-,66-62-
• InChIKey: SEZSAYAEJFSEPZ-OJYREOQRSA-N
• XLogP: 13.92
• TPSA: 100.62 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 26
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1095.76
LogP ≤ 5	13.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of zinc 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]-N,N-dimethylethanamine?

The IUPAC name of zinc 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]-N,N-dimethylethanamine (CID 58261019) is zinc 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]-N,N-dimethylethanamine.

What is the SMILES notation for zinc 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]-N,N-dimethylethanamine?

The canonical SMILES for zinc 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]-N,N-dimethylethanamine is CCCCCCCCCCOc1ccc(-c2c3nc(c(-c4ccc(OCCN(C)C)cc4)c4ccc([n-]4)c(-c4ccc(OCCN(C)C)cc4)c4nc(c(-c5ccc(OCCN(C)C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.[Zn+2].

What is the InChIKey of zinc 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]-N,N-dimethylethanamine?

The InChIKey is SEZSAYAEJFSEPZ-OJYREOQRSA-N. The full InChI is InChI=1S/C66H75N7O4.Zn/c1-8-9-10-11-12-13-14-15-43-74-51-24-16-47(17-25-51)63-55-32-34-57(67-55)64(48-18-26-52(27-19-48)75-44-40-71(2)3)59-36-38-61(69-59)66(50-22-30-54(31-23-50)77-46-42-73(6)7)62-39-37-60(70-62)65(58-35-33-56(63)68-58)49-20-28-53(29-21-49)76-45-41-72(4)5;/h16-39H,8-15,40-46H2,1-7H3;/q-2;+2/b63-55-,63-56-,64-57-,64-59-,65-58-,65-60-,66-61-,66-62-;.

What are the key properties of zinc 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]-N,N-dimethylethanamine?

zinc 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 1095.76 g/mol, XLogP of 13.92, 26 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for zinc 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 58261019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).