21,22-dihydroporphyrin;formic acid

C21H16N4O2 — CID 174388961

IUPAC21,22-dihydroporphyrin;formic acid
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.O=CO
InChIInChI=1S/C20H14N4.CH2O2/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;2-1-3/h1-12,21-22H;1H,(H,2,3)/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyFKOZQUAPHBIQIP-QDJBTJTOSA-N
MW356.39 g/mol
LogP4.36
Rot. Bonds

About 21,22-dihydroporphyrin;formic acid

21,22-dihydroporphyrin;formic acid (PubChem CID 174388961) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 21,22-dihydroporphyrin;formic acid.

Molecular Properties

Compound Name21,22-dihydroporphyrin;formic acid
PubChem CID174388961
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name21,22-dihydroporphyrin;formic acid
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.O=CO
InChIInChI=1S/C20H14N4.CH2O2/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;2-1-3/h1-12,21-22H;1H,(H,2,3)/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyFKOZQUAPHBIQIP-QDJBTJTOSA-N
XLogP4.36
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

zinc 21,22-dihydroporphyrin
CID 21123910
CID 175757831
CID 175757831
21,22-dihydroporphyrin;N-formamidoformamide
CID 174657998
21,22-dihydroporphyrin;methanone;ruthenium(1+)
CID 175593916
CID 88628527
CID 88628527
azanide;cobalt(2+);21,22-dihydroporphyrin
CID 175060320
disodium;21,22-dihydroporphyrin;hydride
CID 174339672
bis(21,22-dihydroporphyrin);nickel;vanadium
CID 175299729
21,22-dihydroporphyrin;ethene
CID 158658158
azane;21,22-dihydroporphyrin;iron
CID 175545548
dizinc;21,22-dihydroporphyrin;tetraiodide
CID 173436903
azane;21,22-dihydroporphyrin;zinc
CID 175189190

Frequently Asked Questions

What is the IUPAC name of 21,22-dihydroporphyrin;formic acid?
The IUPAC name of 21,22-dihydroporphyrin;formic acid (CID 174388961) is 21,22-dihydroporphyrin;formic acid.
What is the SMILES notation for 21,22-dihydroporphyrin;formic acid?
The canonical SMILES for 21,22-dihydroporphyrin;formic acid is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.O=CO.
What is the InChIKey of 21,22-dihydroporphyrin;formic acid?
The InChIKey is FKOZQUAPHBIQIP-QDJBTJTOSA-N. The full InChI is InChI=1S/C20H14N4.CH2O2/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;2-1-3/h1-12,21-22H;1H,(H,2,3)/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;.
What are the key properties of 21,22-dihydroporphyrin;formic acid?
21,22-dihydroporphyrin;formic acid has a molecular weight of 356.39 g/mol, XLogP of 4.36, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 21,22-dihydroporphyrin;formic acid is sourced from PubChem (CID 174388961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).