azane;porphyrin;zinc

C20H15N5Zn — CID 175189191

IUPACazane;porphyrin;zinc
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.N.[Zn]
InChIInChI=1S/C20H12N4.H3N.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;1H3;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;
InChIKeyILVSXKJUIQONRY-IAULSPAKSA-N
MW390.77 g/mol
LogP3.74
Rot. Bonds

About azane;porphyrin;zinc

azane;porphyrin;zinc (PubChem CID 175189191) has the molecular formula C20H15N5Zn and a molecular weight of 390.77 g/mol. Its IUPAC name is azane;porphyrin;zinc.

Molecular Properties

Compound Nameazane;porphyrin;zinc
PubChem CID175189191
Molecular FormulaC20H15N5Zn
Molecular Weight390.77 g/mol
Exact Mass389.06
IUPAC Nameazane;porphyrin;zinc
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.N.[Zn]
InChIInChI=1S/C20H12N4.H3N.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;1H3;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;
InChIKeyILVSXKJUIQONRY-IAULSPAKSA-N
XLogP3.74
TPSA84.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.77
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 azane;porphyrin;zinc?
The IUPAC name of azane;porphyrin;zinc (CID 175189191) is azane;porphyrin;zinc.
What is the SMILES notation for azane;porphyrin;zinc?
The canonical SMILES for azane;porphyrin;zinc is C1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.N.[Zn].
What is the InChIKey of azane;porphyrin;zinc?
The InChIKey is ILVSXKJUIQONRY-IAULSPAKSA-N. The full InChI is InChI=1S/C20H12N4.H3N.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;1H3;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;.
What are the key properties of azane;porphyrin;zinc?
azane;porphyrin;zinc has a molecular weight of 390.77 g/mol, XLogP of 3.74, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;porphyrin;zinc is sourced from PubChem (CID 175189191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).