23,24-dihydroporphyrin-5-carboxylic acid

C21H14N4O2 — CID 68520864

IUPAC23,24-dihydroporphyrin-5-carboxylic acid
SMILESO=C(O)c1c2nc(cc3ccc(cc4ccc(cc5nc1C=C5)[nH]4)[nH]3)C=C2
InChIInChI=1S/C21H14N4O2/c26-21(27)20-18-7-5-16(24-18)10-14-3-1-12(22-14)9-13-2-4-15(23-13)11-17-6-8-19(20)25-17/h1-11,22-23H,(H,26,27)/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,20-18+,20-19+
InChIKeyASOYITDRRINCLU-DRCNEUIKSA-N
MW354.37 g/mol
LogP4.35
Rot. Bonds1

About 23,24-dihydroporphyrin-5-carboxylic acid

23,24-dihydroporphyrin-5-carboxylic acid (PubChem CID 68520864) has the molecular formula C21H14N4O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 23,24-dihydroporphyrin-5-carboxylic acid.

Molecular Properties

Compound Name23,24-dihydroporphyrin-5-carboxylic acid
PubChem CID68520864
Molecular FormulaC21H14N4O2
Molecular Weight354.37 g/mol
Exact Mass354.11
IUPAC Name23,24-dihydroporphyrin-5-carboxylic acid
SMILESO=C(O)c1c2nc(cc3ccc(cc4ccc(cc5nc1C=C5)[nH]4)[nH]3)C=C2
InChIInChI=1S/C21H14N4O2/c26-21(27)20-18-7-5-16(24-18)10-14-3-1-12(22-14)9-13-2-4-15(23-13)11-17-6-8-19(20)25-17/h1-11,22-23H,(H,26,27)/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,20-18+,20-19+
InChIKeyASOYITDRRINCLU-DRCNEUIKSA-N
XLogP4.35
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

15-methyl-21,22-dihydroporphyrin
CID 58018116
23,24-dihydro-21H-porphyrin-5-one
CID 66692742
zinc 21,22-dihydroporphyrin
CID 21123910
CID 175757831
CID 175757831
21,22-dihydroporphyrin;formic acid
CID 174388961
2-(21,24-dihydroporphyrin-5-ylmethylidene)propanedioic acid
CID 173483678
21,23-dihydroporphyrin;trihydrochloride
CID 172691359
tris(23,24-dihydroporphyrin-5-sulfonate);iron(3+)
CID 173451966
benzoic acid;cadmium;21,22-dihydroporphyrin
CID 88764917
benzoic acid;21,22-dihydroporphyrin;palladium
CID 175116406
CID 88628527
CID 88628527
benzene;21,22-dihydroporphyrin;nickel;hydrate
CID 174957949

Frequently Asked Questions

What is the IUPAC name of 23,24-dihydroporphyrin-5-carboxylic acid?
The IUPAC name of 23,24-dihydroporphyrin-5-carboxylic acid (CID 68520864) is 23,24-dihydroporphyrin-5-carboxylic acid.
What is the SMILES notation for 23,24-dihydroporphyrin-5-carboxylic acid?
The canonical SMILES for 23,24-dihydroporphyrin-5-carboxylic acid is O=C(O)c1c2nc(cc3ccc(cc4ccc(cc5nc1C=C5)[nH]4)[nH]3)C=C2.
What is the InChIKey of 23,24-dihydroporphyrin-5-carboxylic acid?
The InChIKey is ASOYITDRRINCLU-DRCNEUIKSA-N. The full InChI is InChI=1S/C21H14N4O2/c26-21(27)20-18-7-5-16(24-18)10-14-3-1-12(22-14)9-13-2-4-15(23-13)11-17-6-8-19(20)25-17/h1-11,22-23H,(H,26,27)/b12-9-,13-9-,14-10-,15-11-,16-10-,17-11-,20-18+,20-19+.
What are the key properties of 23,24-dihydroporphyrin-5-carboxylic acid?
23,24-dihydroporphyrin-5-carboxylic acid has a molecular weight of 354.37 g/mol, XLogP of 4.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 23,24-dihydroporphyrin-5-carboxylic acid is sourced from PubChem (CID 68520864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).