zinc;chloroform;1-[10-(4-hydroxyphenyl)-20-phenyl-15H-porphyrin-5,10,20-triylium-15,21,22,23,24-pentaid-5-yl]naphthalen-2-ol;bis(pyridine)

C54H38Cl6N6O2Zn — CID 139092917

About zinc;chloroform;1-[10-(4-hydroxyphenyl)-20-phenyl-15H-porphyrin-5,10,20-triylium-15,21,22,23,24-pentaid-5-yl]naphthalen-2-ol;bis(pyridine)

zinc;chloroform;1-[10-(4-hydroxyphenyl)-20-phenyl-15H-porphyrin-5,10,20-triylium-15,21,22,23,24-pentaid-5-yl]naphthalen-2-ol;bis(pyridine) (PubChem CID 139092917) has the molecular formula C54H38Cl6N6O2Zn and a molecular weight of 1081.05 g/mol. Its IUPAC name is zinc;chloroform;1-[10-(4-hydroxyphenyl)-20-phenyl-15H-porphyrin-5,10,20-triylium-15,21,22,23,24-pentaid-5-yl]naphthalen-2-ol;bis(pyridine).

Molecular Properties

• Compound Name: zinc;chloroform;1-[10-(4-hydroxyphenyl)-20-phenyl-15H-porphyrin-5,10,20-triylium-15,21,22,23,24-pentaid-5-yl]naphthalen-2-ol;bis(pyridine)
• PubChem CID: 139092917
• Molecular Formula: C54H38Cl6N6O2Zn
• Molecular Weight: 1081.05 g/mol
• Exact Mass: 1076.05
• IUPAC Name: zinc;chloroform;1-[10-(4-hydroxyphenyl)-20-phenyl-15H-porphyrin-5,10,20-triylium-15,21,22,23,24-pentaid-5-yl]naphthalen-2-ol;bis(pyridine)
• SMILES: ClC(Cl)Cl.ClC(Cl)Cl.Oc1ccc(-[c+]2c3ccc([cH-]c4ccc([n-]4)[c+](-c4ccccc4)c4ccc([n-]4)[c+](-c4c(O)ccc5ccccc45)c4ccc2[n-]4)[n-]3)cc1.[Zn+2].c1ccncc1.c1ccncc1
• InChI: InChI=1S/C42H26N4O2.2C5H5N.2CHCl3.Zn/c47-30-15-10-27(11-16-30)40-33-18-14-29(44-33)24-28-13-17-32(43-28)39(26-7-2-1-3-8-26)34-19-21-36(45-34)42(37-22-20-35(40)46-37)41-31-9-5-4-6-25(31)12-23-38(41)48;2*1-2-4-6-5-3-1;2*2-1(3)4;/h1-24,47-48H;2*1-5H;2*1H;/q-2;;;;;+2
• InChIKey: PBVKNIWZOSVMBX-UHFFFAOYSA-N
• XLogP: 15.51
• TPSA: 122.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1081.05
LogP ≤ 5	15.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of zinc;chloroform;1-[10-(4-hydroxyphenyl)-20-phenyl-15H-porphyrin-5,10,20-triylium-15,21,22,23,24-pentaid-5-yl]naphthalen-2-ol;bis(pyridine)?

The IUPAC name of zinc;chloroform;1-[10-(4-hydroxyphenyl)-20-phenyl-15H-porphyrin-5,10,20-triylium-15,21,22,23,24-pentaid-5-yl]naphthalen-2-ol;bis(pyridine) (CID 139092917) is zinc;chloroform;1-[10-(4-hydroxyphenyl)-20-phenyl-15H-porphyrin-5,10,20-triylium-15,21,22,23,24-pentaid-5-yl]naphthalen-2-ol;bis(pyridine).

What is the SMILES notation for zinc;chloroform;1-[10-(4-hydroxyphenyl)-20-phenyl-15H-porphyrin-5,10,20-triylium-15,21,22,23,24-pentaid-5-yl]naphthalen-2-ol;bis(pyridine)?

The canonical SMILES for zinc;chloroform;1-[10-(4-hydroxyphenyl)-20-phenyl-15H-porphyrin-5,10,20-triylium-15,21,22,23,24-pentaid-5-yl]naphthalen-2-ol;bis(pyridine) is ClC(Cl)Cl.ClC(Cl)Cl.Oc1ccc(-[c+]2c3ccc([cH-]c4ccc([n-]4)[c+](-c4ccccc4)c4ccc([n-]4)[c+](-c4c(O)ccc5ccccc45)c4ccc2[n-]4)[n-]3)cc1.[Zn+2].c1ccncc1.c1ccncc1.

What is the InChIKey of zinc;chloroform;1-[10-(4-hydroxyphenyl)-20-phenyl-15H-porphyrin-5,10,20-triylium-15,21,22,23,24-pentaid-5-yl]naphthalen-2-ol;bis(pyridine)?

The InChIKey is PBVKNIWZOSVMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O2.2C5H5N.2CHCl3.Zn/c47-30-15-10-27(11-16-30)40-33-18-14-29(44-33)24-28-13-17-32(43-28)39(26-7-2-1-3-8-26)34-19-21-36(45-34)42(37-22-20-35(40)46-37)41-31-9-5-4-6-25(31)12-23-38(41)48;2*1-2-4-6-5-3-1;2*2-1(3)4;/h1-24,47-48H;2*1-5H;2*1H;/q-2;;;;;+2.

What are the key properties of zinc;chloroform;1-[10-(4-hydroxyphenyl)-20-phenyl-15H-porphyrin-5,10,20-triylium-15,21,22,23,24-pentaid-5-yl]naphthalen-2-ol;bis(pyridine)?

zinc;chloroform;1-[10-(4-hydroxyphenyl)-20-phenyl-15H-porphyrin-5,10,20-triylium-15,21,22,23,24-pentaid-5-yl]naphthalen-2-ol;bis(pyridine) has a molecular weight of 1081.05 g/mol, XLogP of 15.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for zinc;chloroform;1-[10-(4-hydroxyphenyl)-20-phenyl-15H-porphyrin-5,10,20-triylium-15,21,22,23,24-pentaid-5-yl]naphthalen-2-ol;bis(pyridine) is sourced from PubChem (CID 139092917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).