zinc 21,22-dihydroporphyrin

C20H14N4Zn+2 — CID 21123910

IUPACzinc 21,22-dihydroporphyrin
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Zn+2]
InChIInChI=1S/C20H14N4.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;/h1-12,21-22H;/q;+2/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyDYIRIWVYONKWDB-QDJBTJTOSA-N
MW375.75 g/mol
LogP4.65
Rot. Bonds

About zinc 21,22-dihydroporphyrin

zinc 21,22-dihydroporphyrin (PubChem CID 21123910) has the molecular formula C20H14N4Zn+2 and a molecular weight of 375.75 g/mol. Its IUPAC name is zinc 21,22-dihydroporphyrin.

Molecular Properties

Compound Namezinc 21,22-dihydroporphyrin
PubChem CID21123910
Molecular FormulaC20H14N4Zn+2
Molecular Weight375.75 g/mol
Exact Mass374.05
IUPAC Namezinc 21,22-dihydroporphyrin
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Zn+2]
InChIInChI=1S/C20H14N4.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;/h1-12,21-22H;/q;+2/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyDYIRIWVYONKWDB-QDJBTJTOSA-N
XLogP4.65
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.75
LogP ≤ 54.65
H-Bond Donors ≤ 52
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 21,22-dihydroporphyrin?
The IUPAC name of zinc 21,22-dihydroporphyrin (CID 21123910) is zinc 21,22-dihydroporphyrin.
What is the SMILES notation for zinc 21,22-dihydroporphyrin?
The canonical SMILES for zinc 21,22-dihydroporphyrin is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Zn+2].
What is the InChIKey of zinc 21,22-dihydroporphyrin?
The InChIKey is DYIRIWVYONKWDB-QDJBTJTOSA-N. The full InChI is InChI=1S/C20H14N4.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;/h1-12,21-22H;/q;+2/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;.
What are the key properties of zinc 21,22-dihydroporphyrin?
zinc 21,22-dihydroporphyrin has a molecular weight of 375.75 g/mol, XLogP of 4.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 21,22-dihydroporphyrin is sourced from PubChem (CID 21123910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).