cobalt;2-deuterioporphyrin

C20H12CoN4 — CID 56947292

IUPACcobalt;2-deuterioporphyrin
SMILES[2H]C1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N\C(=C/2)C=C4)C=C3)C=C1.[Co]
InChIInChI=1S/C20H12N4.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;/h1-12H;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;/i1D;
InChIKeyAASDGEPFTXFDIU-NTODGFBASA-N
MW368.28 g/mol
LogP3.58
Rot. Bonds

About cobalt;2-deuterioporphyrin

cobalt;2-deuterioporphyrin (PubChem CID 56947292) has the molecular formula C20H12CoN4 and a molecular weight of 368.28 g/mol. Its IUPAC name is cobalt;2-deuterioporphyrin.

Molecular Properties

Compound Namecobalt;2-deuterioporphyrin
PubChem CID56947292
Molecular FormulaC20H12CoN4
Molecular Weight368.28 g/mol
Exact Mass368.05
IUPAC Namecobalt;2-deuterioporphyrin
SMILES[2H]C1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N\C(=C/2)C=C4)C=C3)C=C1.[Co]
InChIInChI=1S/C20H12N4.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;/h1-12H;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;/i1D;
InChIKeyAASDGEPFTXFDIU-NTODGFBASA-N
XLogP3.58
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cobalt;2-deuterioporphyrin?
The IUPAC name of cobalt;2-deuterioporphyrin (CID 56947292) is cobalt;2-deuterioporphyrin.
What is the SMILES notation for cobalt;2-deuterioporphyrin?
The canonical SMILES for cobalt;2-deuterioporphyrin is [2H]C1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N\C(=C/2)C=C4)C=C3)C=C1.[Co].
What is the InChIKey of cobalt;2-deuterioporphyrin?
The InChIKey is AASDGEPFTXFDIU-NTODGFBASA-N. The full InChI is InChI=1S/C20H12N4.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;/h1-12H;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;/i1D;.
What are the key properties of cobalt;2-deuterioporphyrin?
cobalt;2-deuterioporphyrin has a molecular weight of 368.28 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2-deuterioporphyrin is sourced from PubChem (CID 56947292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).