23,24-dihydro-20H-porphyrin-1,20-dicarbonitrile

C22H14N6 — CID 69467576

IUPAC23,24-dihydro-20H-porphyrin-1,20-dicarbonitrile
SMILESN#CC1c2ccc([nH]2)C=c2ccc([nH]2)=CC2=NC(=CC3=NC1(C#N)C=C3)C=C2
InChIInChI=1S/C22H14N6/c23-12-20-21-6-5-18(27-21)10-16-2-1-14(25-16)9-15-3-4-17(26-15)11-19-7-8-22(20,13-24)28-19/h1-11,20,25,27H
InChIKeyPGIOIQCPGRNNLD-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.74
Rot. Bonds

About 23,24-dihydro-20H-porphyrin-1,20-dicarbonitrile

23,24-dihydro-20H-porphyrin-1,20-dicarbonitrile (PubChem CID 69467576) has the molecular formula C22H14N6 and a molecular weight of 362.40 g/mol. Its IUPAC name is 23,24-dihydro-20H-porphyrin-1,20-dicarbonitrile.

Molecular Properties

Compound Name23,24-dihydro-20H-porphyrin-1,20-dicarbonitrile
PubChem CID69467576
Molecular FormulaC22H14N6
Molecular Weight362.40 g/mol
Exact Mass362.13
IUPAC Name23,24-dihydro-20H-porphyrin-1,20-dicarbonitrile
SMILESN#CC1c2ccc([nH]2)C=c2ccc([nH]2)=CC2=NC(=CC3=NC1(C#N)C=C3)C=C2
InChIInChI=1S/C22H14N6/c23-12-20-21-6-5-18(27-21)10-16-2-1-14(25-16)9-15-3-4-17(26-15)11-19-7-8-22(20,13-24)28-19/h1-11,20,25,27H
InChIKeyPGIOIQCPGRNNLD-UHFFFAOYSA-N
XLogP1.74
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 23,24-dihydro-20H-porphyrin-1,20-dicarbonitrile?
The IUPAC name of 23,24-dihydro-20H-porphyrin-1,20-dicarbonitrile (CID 69467576) is 23,24-dihydro-20H-porphyrin-1,20-dicarbonitrile.
What is the SMILES notation for 23,24-dihydro-20H-porphyrin-1,20-dicarbonitrile?
The canonical SMILES for 23,24-dihydro-20H-porphyrin-1,20-dicarbonitrile is N#CC1c2ccc([nH]2)C=c2ccc([nH]2)=CC2=NC(=CC3=NC1(C#N)C=C3)C=C2.
What is the InChIKey of 23,24-dihydro-20H-porphyrin-1,20-dicarbonitrile?
The InChIKey is PGIOIQCPGRNNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N6/c23-12-20-21-6-5-18(27-21)10-16-2-1-14(25-16)9-15-3-4-17(26-15)11-19-7-8-22(20,13-24)28-19/h1-11,20,25,27H.
What are the key properties of 23,24-dihydro-20H-porphyrin-1,20-dicarbonitrile?
23,24-dihydro-20H-porphyrin-1,20-dicarbonitrile has a molecular weight of 362.40 g/mol, XLogP of 1.74, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 23,24-dihydro-20H-porphyrin-1,20-dicarbonitrile is sourced from PubChem (CID 69467576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).