cobalt;21,22-dihydroporphyrin;ethanol

C22H20CoN4O — CID 174944613

IUPACcobalt;21,22-dihydroporphyrin;ethanol
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.CCO.[Co]
InChIInChI=1S/C20H14N4.C2H6O.Co/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;1-2-3;/h1-12,21-22H;3H,2H2,1H3;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;
InChIKeyFYLXHQPZYSIRRF-IAULSPAKSA-N
MW415.36 g/mol
LogP4.65
Rot. Bonds

About cobalt;21,22-dihydroporphyrin;ethanol

cobalt;21,22-dihydroporphyrin;ethanol (PubChem CID 174944613) has the molecular formula C22H20CoN4O and a molecular weight of 415.36 g/mol. Its IUPAC name is cobalt;21,22-dihydroporphyrin;ethanol.

Molecular Properties

Compound Namecobalt;21,22-dihydroporphyrin;ethanol
PubChem CID174944613
Molecular FormulaC22H20CoN4O
Molecular Weight415.36 g/mol
Exact Mass415.10
IUPAC Namecobalt;21,22-dihydroporphyrin;ethanol
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.CCO.[Co]
InChIInChI=1S/C20H14N4.C2H6O.Co/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;1-2-3;/h1-12,21-22H;3H,2H2,1H3;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;
InChIKeyFYLXHQPZYSIRRF-IAULSPAKSA-N
XLogP4.65
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.36
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

zinc 21,22-dihydroporphyrin
CID 21123910
CID 175757831
CID 175757831
CID 88628527
CID 88628527
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
azanide;cobalt(2+);21,22-dihydroporphyrin
CID 175060320
azane;21,22-dihydroporphyrin;zinc
CID 175189190
21,22-dihydroporphyrin;2-methylpropane;zinc
CID 88761237
cobalt;21,22-dihydroporphyrin;1,3,5-triazine
CID 175225634

Frequently Asked Questions

What is the IUPAC name of cobalt;21,22-dihydroporphyrin;ethanol?
The IUPAC name of cobalt;21,22-dihydroporphyrin;ethanol (CID 174944613) is cobalt;21,22-dihydroporphyrin;ethanol.
What is the SMILES notation for cobalt;21,22-dihydroporphyrin;ethanol?
The canonical SMILES for cobalt;21,22-dihydroporphyrin;ethanol is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.CCO.[Co].
What is the InChIKey of cobalt;21,22-dihydroporphyrin;ethanol?
The InChIKey is FYLXHQPZYSIRRF-IAULSPAKSA-N. The full InChI is InChI=1S/C20H14N4.C2H6O.Co/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;1-2-3;/h1-12,21-22H;3H,2H2,1H3;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;.
What are the key properties of cobalt;21,22-dihydroporphyrin;ethanol?
cobalt;21,22-dihydroporphyrin;ethanol has a molecular weight of 415.36 g/mol, XLogP of 4.65, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;21,22-dihydroporphyrin;ethanol is sourced from PubChem (CID 174944613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).