zinc porphyrin-22,24-diide

C20H12N4Zn — CID 15148283

IUPACzinc porphyrin-22,24-diide
SMILESC1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[n-]5)C=C4)[n-]3.[Zn+2]
InChIInChI=1S/C20H12N4.Zn/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;/h1-12H;/q-2;+2/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyAUIPNWPUEFZMSU-QDJBTJTOSA-N
MW373.73 g/mol
LogP3.91
Rot. Bonds

About zinc porphyrin-22,24-diide

zinc porphyrin-22,24-diide (PubChem CID 15148283) has the molecular formula C20H12N4Zn and a molecular weight of 373.73 g/mol. Its IUPAC name is zinc porphyrin-22,24-diide.

Molecular Properties

Compound Namezinc porphyrin-22,24-diide
PubChem CID15148283
Molecular FormulaC20H12N4Zn
Molecular Weight373.73 g/mol
Exact Mass372.04
IUPAC Namezinc porphyrin-22,24-diide
SMILESC1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[n-]5)C=C4)[n-]3.[Zn+2]
InChIInChI=1S/C20H12N4.Zn/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;/h1-12H;/q-2;+2/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyAUIPNWPUEFZMSU-QDJBTJTOSA-N
XLogP3.91
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.73
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc porphyrin-22,24-diide?
The IUPAC name of zinc porphyrin-22,24-diide (CID 15148283) is zinc porphyrin-22,24-diide.
What is the SMILES notation for zinc porphyrin-22,24-diide?
The canonical SMILES for zinc porphyrin-22,24-diide is C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[n-]5)C=C4)[n-]3.[Zn+2].
What is the InChIKey of zinc porphyrin-22,24-diide?
The InChIKey is AUIPNWPUEFZMSU-QDJBTJTOSA-N. The full InChI is InChI=1S/C20H12N4.Zn/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;/h1-12H;/q-2;+2/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;.
What are the key properties of zinc porphyrin-22,24-diide?
zinc porphyrin-22,24-diide has a molecular weight of 373.73 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc porphyrin-22,24-diide is sourced from PubChem (CID 15148283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).