cobalt;21,22-dihydroporphyrin;4H-pyridin-4-ide

C25H18CoN5- — CID 175333023

IUPACcobalt;21,22-dihydroporphyrin;4H-pyridin-4-ide
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Co].[c-]1ccncc1
InChIInChI=1S/C20H14N4.C5H4N.Co/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;1-2-4-6-5-3-1;/h1-12,21-22H;2-5H;/q;-1;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;
InChIKeyWUOKDPLXIJTXCU-IAULSPAKSA-N
MW447.39 g/mol
LogP5.53
Rot. Bonds

About cobalt;21,22-dihydroporphyrin;4H-pyridin-4-ide

cobalt;21,22-dihydroporphyrin;4H-pyridin-4-ide (PubChem CID 175333023) has the molecular formula C25H18CoN5- and a molecular weight of 447.39 g/mol. Its IUPAC name is cobalt;21,22-dihydroporphyrin;4H-pyridin-4-ide.

Molecular Properties

Compound Namecobalt;21,22-dihydroporphyrin;4H-pyridin-4-ide
PubChem CID175333023
Molecular FormulaC25H18CoN5-
Molecular Weight447.39 g/mol
Exact Mass447.09
IUPAC Namecobalt;21,22-dihydroporphyrin;4H-pyridin-4-ide
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Co].[c-]1ccncc1
InChIInChI=1S/C20H14N4.C5H4N.Co/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;1-2-4-6-5-3-1;/h1-12,21-22H;2-5H;/q;-1;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;
InChIKeyWUOKDPLXIJTXCU-IAULSPAKSA-N
XLogP5.53
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.39
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cobalt;21,22-dihydroporphyrin;4H-pyridin-4-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cobalt;21,22-dihydroporphyrin;4H-pyridin-4-ide?
The IUPAC name of cobalt;21,22-dihydroporphyrin;4H-pyridin-4-ide (CID 175333023) is cobalt;21,22-dihydroporphyrin;4H-pyridin-4-ide.
What is the SMILES notation for cobalt;21,22-dihydroporphyrin;4H-pyridin-4-ide?
The canonical SMILES for cobalt;21,22-dihydroporphyrin;4H-pyridin-4-ide is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Co].[c-]1ccncc1.
What is the InChIKey of cobalt;21,22-dihydroporphyrin;4H-pyridin-4-ide?
The InChIKey is WUOKDPLXIJTXCU-IAULSPAKSA-N. The full InChI is InChI=1S/C20H14N4.C5H4N.Co/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;1-2-4-6-5-3-1;/h1-12,21-22H;2-5H;/q;-1;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;.
What are the key properties of cobalt;21,22-dihydroporphyrin;4H-pyridin-4-ide?
cobalt;21,22-dihydroporphyrin;4H-pyridin-4-ide has a molecular weight of 447.39 g/mol, XLogP of 5.53, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;21,22-dihydroporphyrin;4H-pyridin-4-ide is sourced from PubChem (CID 175333023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).