manganese;2H-porphyrin-2-ide

C20H11MnN4- — CID 67050440

IUPACmanganese;2H-porphyrin-2-ide
SMILES[C-]1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N\C(=C/2)C=C4)C=C3)C=C1.[Mn]
InChIInChI=1S/C20H11N4.Mn/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;/h1-7,9-12H;/q-1;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyVCCYNXJZEFJCST-QDJBTJTOSA-N
MW362.27 g/mol
LogP3.38
Rot. Bonds

About manganese;2H-porphyrin-2-ide

manganese;2H-porphyrin-2-ide (PubChem CID 67050440) has the molecular formula C20H11MnN4- and a molecular weight of 362.27 g/mol. Its IUPAC name is manganese;2H-porphyrin-2-ide.

Molecular Properties

Compound Namemanganese;2H-porphyrin-2-ide
PubChem CID67050440
Molecular FormulaC20H11MnN4-
Molecular Weight362.27 g/mol
Exact Mass362.04
IUPAC Namemanganese;2H-porphyrin-2-ide
SMILES[C-]1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N\C(=C/2)C=C4)C=C3)C=C1.[Mn]
InChIInChI=1S/C20H11N4.Mn/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;/h1-7,9-12H;/q-1;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyVCCYNXJZEFJCST-QDJBTJTOSA-N
XLogP3.38
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of manganese;2H-porphyrin-2-ide?
The IUPAC name of manganese;2H-porphyrin-2-ide (CID 67050440) is manganese;2H-porphyrin-2-ide.
What is the SMILES notation for manganese;2H-porphyrin-2-ide?
The canonical SMILES for manganese;2H-porphyrin-2-ide is [C-]1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N\C(=C/2)C=C4)C=C3)C=C1.[Mn].
What is the InChIKey of manganese;2H-porphyrin-2-ide?
The InChIKey is VCCYNXJZEFJCST-QDJBTJTOSA-N. The full InChI is InChI=1S/C20H11N4.Mn/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;/h1-7,9-12H;/q-1;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;.
What are the key properties of manganese;2H-porphyrin-2-ide?
manganese;2H-porphyrin-2-ide has a molecular weight of 362.27 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for manganese;2H-porphyrin-2-ide is sourced from PubChem (CID 67050440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).