21,22-dihydroporphyrin;methanone;ruthenium(1+)

C21H15N4ORu — CID 175593916

IUPAC21,22-dihydroporphyrin;methanone;ruthenium(1+)
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[CH-]=O.[Ru+]
InChIInChI=1S/C20H14N4.CHO.Ru/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;1-2;/h1-12,21-22H;1H;/q;-1;+1/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;
InChIKeyTYUORIPYPVCMRM-IAULSPAKSA-N
MW440.45 g/mol
LogP4.38
Rot. Bonds

About 21,22-dihydroporphyrin;methanone;ruthenium(1+)

21,22-dihydroporphyrin;methanone;ruthenium(1+) (PubChem CID 175593916) has the molecular formula C21H15N4ORu and a molecular weight of 440.45 g/mol. Its IUPAC name is 21,22-dihydroporphyrin;methanone;ruthenium(1+).

Molecular Properties

Compound Name21,22-dihydroporphyrin;methanone;ruthenium(1+)
PubChem CID175593916
Molecular FormulaC21H15N4ORu
Molecular Weight440.45 g/mol
Exact Mass441.03
IUPAC Name21,22-dihydroporphyrin;methanone;ruthenium(1+)
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[CH-]=O.[Ru+]
InChIInChI=1S/C20H14N4.CHO.Ru/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;1-2;/h1-12,21-22H;1H;/q;-1;+1/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;
InChIKeyTYUORIPYPVCMRM-IAULSPAKSA-N
XLogP4.38
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

zinc 21,22-dihydroporphyrin
CID 21123910
CID 175757831
CID 175757831
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CID 175060320
azane;21,22-dihydroporphyrin;iron
CID 175545548
21,22-dihydroporphyrin;ethene
CID 158658158
disodium;21,22-dihydroporphyrin;hydride
CID 174339672
bis(21,22-dihydroporphyrin);nickel;vanadium
CID 175299729
dizinc;21,22-dihydroporphyrin;tetraiodide
CID 173436903
azane;21,22-dihydroporphyrin;zinc
CID 175189190
21,22-dihydroporphyrin;2-methylpropane;zinc
CID 88761237
21,23-dihydroporphyrin;trihydrochloride
CID 172691359
21,22-dihydroporphyrin;formic acid
CID 174388961

Frequently Asked Questions

What is the IUPAC name of 21,22-dihydroporphyrin;methanone;ruthenium(1+)?
The IUPAC name of 21,22-dihydroporphyrin;methanone;ruthenium(1+) (CID 175593916) is 21,22-dihydroporphyrin;methanone;ruthenium(1+).
What is the SMILES notation for 21,22-dihydroporphyrin;methanone;ruthenium(1+)?
The canonical SMILES for 21,22-dihydroporphyrin;methanone;ruthenium(1+) is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[CH-]=O.[Ru+].
What is the InChIKey of 21,22-dihydroporphyrin;methanone;ruthenium(1+)?
The InChIKey is TYUORIPYPVCMRM-IAULSPAKSA-N. The full InChI is InChI=1S/C20H14N4.CHO.Ru/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;1-2;/h1-12,21-22H;1H;/q;-1;+1/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;methanone;ruthenium(1+)?
21,22-dihydroporphyrin;methanone;ruthenium(1+) has a molecular weight of 440.45 g/mol, XLogP of 4.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 21,22-dihydroporphyrin;methanone;ruthenium(1+) is sourced from PubChem (CID 175593916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).