21,22-dihydroporphyrin;N-formamidoformamide

C22H18N6O2 — CID 174657998

IUPAC21,22-dihydroporphyrin;N-formamidoformamide
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.O=CNNC=O
InChIInChI=1S/C20H14N4.C2H4N2O2/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;5-1-3-4-2-6/h1-12,21-22H;1-2H,(H,3,5)(H,4,6)/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyFZPPAWGQXHMCMZ-QDJBTJTOSA-N
MW398.43 g/mol
LogP3.05
Rot. Bonds3

About 21,22-dihydroporphyrin;N-formamidoformamide

21,22-dihydroporphyrin;N-formamidoformamide (PubChem CID 174657998) has the molecular formula C22H18N6O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is 21,22-dihydroporphyrin;N-formamidoformamide.

Molecular Properties

Compound Name21,22-dihydroporphyrin;N-formamidoformamide
PubChem CID174657998
Molecular FormulaC22H18N6O2
Molecular Weight398.43 g/mol
Exact Mass398.15
IUPAC Name21,22-dihydroporphyrin;N-formamidoformamide
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.O=CNNC=O
InChIInChI=1S/C20H14N4.C2H4N2O2/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;5-1-3-4-2-6/h1-12,21-22H;1-2H,(H,3,5)(H,4,6)/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyFZPPAWGQXHMCMZ-QDJBTJTOSA-N
XLogP3.05
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

21,22-dihydroporphyrin;formic acid
CID 174388961
CID 175757831
CID 175757831
zinc 21,22-dihydroporphyrin
CID 21123910
21,22-dihydroporphyrin;methanone;ruthenium(1+)
CID 175593916
azane;21,22-dihydroporphyrin;zinc
CID 175189190
azanide;cobalt(2+);21,22-dihydroporphyrin
CID 175060320
disodium;21,22-dihydroporphyrin;hydride
CID 174339672
bis(21,22-dihydroporphyrin);nickel;vanadium
CID 175299729
dizinc;21,22-dihydroporphyrin;tetraiodide
CID 173436903
21,22-dihydroporphyrin;ethene
CID 158658158
azane;21,22-dihydroporphyrin;iron
CID 175545548
21,23-dihydroporphyrin;trihydrochloride
CID 172691359

Frequently Asked Questions

What is the IUPAC name of 21,22-dihydroporphyrin;N-formamidoformamide?
The IUPAC name of 21,22-dihydroporphyrin;N-formamidoformamide (CID 174657998) is 21,22-dihydroporphyrin;N-formamidoformamide.
What is the SMILES notation for 21,22-dihydroporphyrin;N-formamidoformamide?
The canonical SMILES for 21,22-dihydroporphyrin;N-formamidoformamide is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.O=CNNC=O.
What is the InChIKey of 21,22-dihydroporphyrin;N-formamidoformamide?
The InChIKey is FZPPAWGQXHMCMZ-QDJBTJTOSA-N. The full InChI is InChI=1S/C20H14N4.C2H4N2O2/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;5-1-3-4-2-6/h1-12,21-22H;1-2H,(H,3,5)(H,4,6)/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;N-formamidoformamide?
21,22-dihydroporphyrin;N-formamidoformamide has a molecular weight of 398.43 g/mol, XLogP of 3.05, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 21,22-dihydroporphyrin;N-formamidoformamide is sourced from PubChem (CID 174657998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).