22,24-dihydro-21H-porphyrin-2-ylidenehydrazine

C20H16N6 — CID 154020327

IUPAC22,24-dihydro-21H-porphyrin-2-ylidenehydrazine
SMILESNN=C1C=C2/C=c3/cc/c([nH]3)=C/C3=N/C(=C\c4ccc([nH]4)/C=C/1N2)C=C3
InChIInChI=1S/C20H16N6/c21-26-20-11-18-9-16-4-3-14(23-16)7-12-1-2-13(22-12)8-15-5-6-17(24-15)10-19(20)25-18/h1-11,23-25H,21H2/b13-8-,14-7-,16-9-,19-10-,26-20?
InChIKeyZJFVEKOINOLQLZ-MBTPVYJGSA-N
MW340.39 g/mol
LogP1.11
Rot. Bonds

About 22,24-dihydro-21H-porphyrin-2-ylidenehydrazine

22,24-dihydro-21H-porphyrin-2-ylidenehydrazine (PubChem CID 154020327) has the molecular formula C20H16N6 and a molecular weight of 340.39 g/mol. Its IUPAC name is 22,24-dihydro-21H-porphyrin-2-ylidenehydrazine.

Molecular Properties

Compound Name22,24-dihydro-21H-porphyrin-2-ylidenehydrazine
PubChem CID154020327
Molecular FormulaC20H16N6
Molecular Weight340.39 g/mol
Exact Mass340.14
IUPAC Name22,24-dihydro-21H-porphyrin-2-ylidenehydrazine
SMILESNN=C1C=C2/C=c3/cc/c([nH]3)=C/C3=N/C(=C\c4ccc([nH]4)/C=C/1N2)C=C3
InChIInChI=1S/C20H16N6/c21-26-20-11-18-9-16-4-3-14(23-16)7-12-1-2-13(22-12)8-15-5-6-17(24-15)10-19(20)25-18/h1-11,23-25H,21H2/b13-8-,14-7-,16-9-,19-10-,26-20?
InChIKeyZJFVEKOINOLQLZ-MBTPVYJGSA-N
XLogP1.11
TPSA94.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(22,23-dihydro-21H-porphyrin-2-ylidene)guanidine
CID 173111212
23,24-dihydro-20H-porphyrin-1,20-dicarbonitrile
CID 69467576
21,22-dihydro-1H-porphyrin-2-thione;samarium;zinc
CID 174770463
21,22-dihydro-1H-porphyrin-2-one;titanium
CID 174981692
21,22-dihydro-1H-porphyrin-2-one;platinum
CID 173314359
21-methyl-22,23-dihydroporphyrin-2-one
CID 174825894
6-methoxy-5-methylsulfanyl-21,24-dihydro-5H-porphyrin
CID 152672691
1-fluoro-21,23-dihydro-2H-porphyrin
CID 154001382
1,2,21,23-tetrahydroporphyrin
CID 66788511
bismuthane;porphyrin
CID 174978505
cobalt;porphyrin
CID 69089029
(1R,4S)-1,2,3,4,21,23-hexahydroporphyrin
CID 91614379

Frequently Asked Questions

What is the IUPAC name of 22,24-dihydro-21H-porphyrin-2-ylidenehydrazine?
The IUPAC name of 22,24-dihydro-21H-porphyrin-2-ylidenehydrazine (CID 154020327) is 22,24-dihydro-21H-porphyrin-2-ylidenehydrazine.
What is the SMILES notation for 22,24-dihydro-21H-porphyrin-2-ylidenehydrazine?
The canonical SMILES for 22,24-dihydro-21H-porphyrin-2-ylidenehydrazine is NN=C1C=C2/C=c3/cc/c([nH]3)=C/C3=N/C(=C\c4ccc([nH]4)/C=C/1N2)C=C3.
What is the InChIKey of 22,24-dihydro-21H-porphyrin-2-ylidenehydrazine?
The InChIKey is ZJFVEKOINOLQLZ-MBTPVYJGSA-N. The full InChI is InChI=1S/C20H16N6/c21-26-20-11-18-9-16-4-3-14(23-16)7-12-1-2-13(22-12)8-15-5-6-17(24-15)10-19(20)25-18/h1-11,23-25H,21H2/b13-8-,14-7-,16-9-,19-10-,26-20?.
What are the key properties of 22,24-dihydro-21H-porphyrin-2-ylidenehydrazine?
22,24-dihydro-21H-porphyrin-2-ylidenehydrazine has a molecular weight of 340.39 g/mol, XLogP of 1.11, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 22,24-dihydro-21H-porphyrin-2-ylidenehydrazine is sourced from PubChem (CID 154020327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).