21,22,23,24-tetrahydroporphyrin-2-carbaldehyde

C21H16N4O — CID 90848871

IUPAC21,22,23,24-tetrahydroporphyrin-2-carbaldehyde
SMILESO=Cc1cc2[nH]c1=Cc1ccc([nH]1)C=c1ccc([nH]1)=Cc1ccc([nH]1)C=2
InChIInChI=1S/C21H16N4O/c26-12-13-7-20-10-18-4-3-16(23-18)8-14-1-2-15(22-14)9-17-5-6-19(24-17)11-21(13)25-20/h1-12,22-25H
InChIKeyJJEJYKXHVFQVBH-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.44
Rot. Bonds1

About 21,22,23,24-tetrahydroporphyrin-2-carbaldehyde

21,22,23,24-tetrahydroporphyrin-2-carbaldehyde (PubChem CID 90848871) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 21,22,23,24-tetrahydroporphyrin-2-carbaldehyde.

Molecular Properties

Compound Name21,22,23,24-tetrahydroporphyrin-2-carbaldehyde
PubChem CID90848871
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name21,22,23,24-tetrahydroporphyrin-2-carbaldehyde
SMILESO=Cc1cc2[nH]c1=Cc1ccc([nH]1)C=c1ccc([nH]1)=Cc1ccc([nH]1)C=2
InChIInChI=1S/C21H16N4O/c26-12-13-7-20-10-18-4-3-16(23-18)8-14-1-2-15(22-14)9-17-5-6-19(24-17)11-21(13)25-20/h1-12,22-25H
InChIKeyJJEJYKXHVFQVBH-UHFFFAOYSA-N
XLogP0.44
TPSA80.23 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethynyl-21,22,23,24-tetrahydroporphyrin;zinc
CID 159211349
2-(21,22,23,24-tetrahydroporphyrin-5-ylmethylidene)propanedioic acid
CID 90700882
2,12-dimethyl-5-(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin
CID 91454171
4-[15-(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]benzaldehyde
CID 91151416
4-(25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-4-yl)benzoic acid
CID 173078836
5,21-dihydroxy-23,24-dihydro-22H-porphyrin-2,3-dione;gold
CID 174692128
2-oxo-6-phenyl-1H-pyridine-3-carbaldehyde
CID 82521365
1H-pyrrole-2,3,5-tricarbaldehyde
CID 12914964
5-[10-(3-hydroxy-4-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol
CID 54545974
3-(3-formylazulen-1-yl)azulene-1-carbaldehyde
CID 10591039
5-chloro-1H-pyrrole-2,4-dicarbaldehyde
CID 14686211
4-fluoro-2-methyl-1H-indole-7-carbaldehyde
CID 143126641

Frequently Asked Questions

What is the IUPAC name of 21,22,23,24-tetrahydroporphyrin-2-carbaldehyde?
The IUPAC name of 21,22,23,24-tetrahydroporphyrin-2-carbaldehyde (CID 90848871) is 21,22,23,24-tetrahydroporphyrin-2-carbaldehyde.
What is the SMILES notation for 21,22,23,24-tetrahydroporphyrin-2-carbaldehyde?
The canonical SMILES for 21,22,23,24-tetrahydroporphyrin-2-carbaldehyde is O=Cc1cc2[nH]c1=Cc1ccc([nH]1)C=c1ccc([nH]1)=Cc1ccc([nH]1)C=2.
What is the InChIKey of 21,22,23,24-tetrahydroporphyrin-2-carbaldehyde?
The InChIKey is JJEJYKXHVFQVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c26-12-13-7-20-10-18-4-3-16(23-18)8-14-1-2-15(22-14)9-17-5-6-19(24-17)11-21(13)25-20/h1-12,22-25H.
What are the key properties of 21,22,23,24-tetrahydroporphyrin-2-carbaldehyde?
21,22,23,24-tetrahydroporphyrin-2-carbaldehyde has a molecular weight of 340.39 g/mol, XLogP of 0.44, 1 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 21,22,23,24-tetrahydroporphyrin-2-carbaldehyde is sourced from PubChem (CID 90848871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).