1,2,21,23-tetrahydroporphyrin;zinc

C20H16N4Zn — CID 67823763

IUPAC1,2,21,23-tetrahydroporphyrin;zinc
SMILESC1=CC2=NC1=CC1=CCC(C=C3C=CC(=N3)C=c3ccc([nH]3)=C2)N1.[Zn]
InChIInChI=1S/C20H16N4.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;/h1-7,9-12,20-21,24H,8H2;
InChIKeyDESQBBGIEQXUCL-UHFFFAOYSA-N
MW377.77 g/mol
LogP1.62
Rot. Bonds

About 1,2,21,23-tetrahydroporphyrin;zinc

1,2,21,23-tetrahydroporphyrin;zinc (PubChem CID 67823763) has the molecular formula C20H16N4Zn and a molecular weight of 377.77 g/mol. Its IUPAC name is 1,2,21,23-tetrahydroporphyrin;zinc.

Molecular Properties

Compound Name1,2,21,23-tetrahydroporphyrin;zinc
PubChem CID67823763
Molecular FormulaC20H16N4Zn
Molecular Weight377.77 g/mol
Exact Mass376.07
IUPAC Name1,2,21,23-tetrahydroporphyrin;zinc
SMILESC1=CC2=NC1=CC1=CCC(C=C3C=CC(=N3)C=c3ccc([nH]3)=C2)N1.[Zn]
InChIInChI=1S/C20H16N4.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;/h1-7,9-12,20-21,24H,8H2;
InChIKeyDESQBBGIEQXUCL-UHFFFAOYSA-N
XLogP1.62
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.77
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1,2,21,23-tetrahydroporphyrin;zinc?
The IUPAC name of 1,2,21,23-tetrahydroporphyrin;zinc (CID 67823763) is 1,2,21,23-tetrahydroporphyrin;zinc.
What is the SMILES notation for 1,2,21,23-tetrahydroporphyrin;zinc?
The canonical SMILES for 1,2,21,23-tetrahydroporphyrin;zinc is C1=CC2=NC1=CC1=CCC(C=C3C=CC(=N3)C=c3ccc([nH]3)=C2)N1.[Zn].
What is the InChIKey of 1,2,21,23-tetrahydroporphyrin;zinc?
The InChIKey is DESQBBGIEQXUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4.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;/h1-7,9-12,20-21,24H,8H2;.
What are the key properties of 1,2,21,23-tetrahydroporphyrin;zinc?
1,2,21,23-tetrahydroporphyrin;zinc has a molecular weight of 377.77 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,21,23-tetrahydroporphyrin;zinc is sourced from PubChem (CID 67823763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).