azane;21,22-dihydroporphyrin;zinc

C20H17N5Zn — CID 175189190

IUPACazane;21,22-dihydroporphyrin;zinc
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.N.[Zn]
InChIInChI=1S/C20H14N4.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;;/h1-12,21-22H;1H3;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;
InChIKeyYWKKGKRBFZQMGO-IAULSPAKSA-N
MW392.78 g/mol
LogP4.82
Rot. Bonds

About azane;21,22-dihydroporphyrin;zinc

azane;21,22-dihydroporphyrin;zinc (PubChem CID 175189190) has the molecular formula C20H17N5Zn and a molecular weight of 392.78 g/mol. Its IUPAC name is azane;21,22-dihydroporphyrin;zinc.

Molecular Properties

Compound Nameazane;21,22-dihydroporphyrin;zinc
PubChem CID175189190
Molecular FormulaC20H17N5Zn
Molecular Weight392.78 g/mol
Exact Mass391.08
IUPAC Nameazane;21,22-dihydroporphyrin;zinc
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.N.[Zn]
InChIInChI=1S/C20H14N4.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;;/h1-12,21-22H;1H3;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;
InChIKeyYWKKGKRBFZQMGO-IAULSPAKSA-N
XLogP4.82
TPSA92.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.78
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 175545548
zinc 21,22-dihydroporphyrin
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azanide;cobalt(2+);21,22-dihydroporphyrin
CID 175060320
21,22-dihydroporphyrin;ethene
CID 158658158
bis(21,22-dihydroporphyrin);nickel;vanadium
CID 175299729
disodium;21,22-dihydroporphyrin;hydride
CID 174339672
dizinc;21,22-dihydroporphyrin;tetraiodide
CID 173436903
21,22-dihydroporphyrin;2-methylpropane;zinc
CID 88761237
21,23-dihydroporphyrin;trihydrochloride
CID 172691359
CID 88628527
CID 88628527
benzene;21,22-dihydroporphyrin;nickel;hydrate
CID 174957949

Frequently Asked Questions

What is the IUPAC name of azane;21,22-dihydroporphyrin;zinc?
The IUPAC name of azane;21,22-dihydroporphyrin;zinc (CID 175189190) is azane;21,22-dihydroporphyrin;zinc.
What is the SMILES notation for azane;21,22-dihydroporphyrin;zinc?
The canonical SMILES for azane;21,22-dihydroporphyrin;zinc is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.N.[Zn].
What is the InChIKey of azane;21,22-dihydroporphyrin;zinc?
The InChIKey is YWKKGKRBFZQMGO-IAULSPAKSA-N. The full InChI is InChI=1S/C20H14N4.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;;/h1-12,21-22H;1H3;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;.
What are the key properties of azane;21,22-dihydroporphyrin;zinc?
azane;21,22-dihydroporphyrin;zinc has a molecular weight of 392.78 g/mol, XLogP of 4.82, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;21,22-dihydroporphyrin;zinc is sourced from PubChem (CID 175189190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).