chloroform;bis(1H-imidazole);manganese;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;chloride

C52H38Cl7MnN8- — CID 139062894

About chloroform;bis(1H-imidazole);manganese;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;chloride

chloroform;bis(1H-imidazole);manganese;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;chloride (PubChem CID 139062894) has the molecular formula C52H38Cl7MnN8- and a molecular weight of 1078.04 g/mol. Its IUPAC name is chloroform;bis(1H-imidazole);manganese;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;chloride.

Molecular Properties

• Compound Name: chloroform;bis(1H-imidazole);manganese;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;chloride
• PubChem CID: 139062894
• Molecular Formula: C52H38Cl7MnN8-
• Molecular Weight: 1078.04 g/mol
• Exact Mass: 1074.04
• IUPAC Name: chloroform;bis(1H-imidazole);manganese;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;chloride
• SMILES: ClC(Cl)Cl.ClC(Cl)Cl.[Cl-].[Mn].c1c[nH]cn1.c1c[nH]cn1.c1ccc([C+]2c3ccc([n-]3)[C+](c3ccccc3)c3ccc([n-]3)[C+](c3ccccc3)c3ccc([n-]3)[C+](c3ccccc3)c3ccc2[n-]3)cc1
• InChI: InChI=1S/C44H28N4.2C3H4N2.2CHCl3.ClH.Mn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;2*1-2-5-3-4-1;2*2-1(3)4;;/h1-28H;2*1-3H,(H,4,5);2*1H;1H;/p-1
• InChIKey: AKYFGWPCLSAGPH-UHFFFAOYSA-M
• XLogP: 9.70
• TPSA: 113.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1078.04
LogP ≤ 5	9.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chloroform;bis(1H-imidazole);manganese;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;chloride?

The IUPAC name of chloroform;bis(1H-imidazole);manganese;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;chloride (CID 139062894) is chloroform;bis(1H-imidazole);manganese;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;chloride.

What is the SMILES notation for chloroform;bis(1H-imidazole);manganese;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;chloride?

The canonical SMILES for chloroform;bis(1H-imidazole);manganese;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;chloride is ClC(Cl)Cl.ClC(Cl)Cl.[Cl-].[Mn].c1c[nH]cn1.c1c[nH]cn1.c1ccc([C+]2c3ccc([n-]3)[C+](c3ccccc3)c3ccc([n-]3)[C+](c3ccccc3)c3ccc([n-]3)[C+](c3ccccc3)c3ccc2[n-]3)cc1.

What is the InChIKey of chloroform;bis(1H-imidazole);manganese;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;chloride?

The InChIKey is AKYFGWPCLSAGPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C44H28N4.2C3H4N2.2CHCl3.ClH.Mn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;2*1-2-5-3-4-1;2*2-1(3)4;;/h1-28H;2*1-3H,(H,4,5);2*1H;1H;/p-1.

What are the key properties of chloroform;bis(1H-imidazole);manganese;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;chloride?

chloroform;bis(1H-imidazole);manganese;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;chloride has a molecular weight of 1078.04 g/mol, XLogP of 9.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for chloroform;bis(1H-imidazole);manganese;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;chloride is sourced from PubChem (CID 139062894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).