cobalt;porphyrin

C20H12CoN4 — CID 69089029

IUPACcobalt;porphyrin
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.[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-;
InChIKeyAASDGEPFTXFDIU-QDJBTJTOSA-N
MW367.28 g/mol
LogP3.58
Rot. Bonds

About cobalt;porphyrin

cobalt;porphyrin (PubChem CID 69089029) has the molecular formula C20H12CoN4 and a molecular weight of 367.28 g/mol. Its IUPAC name is cobalt;porphyrin.

Molecular Properties

Compound Namecobalt;porphyrin
PubChem CID69089029
Molecular FormulaC20H12CoN4
Molecular Weight367.28 g/mol
Exact Mass367.04
IUPAC Namecobalt;porphyrin
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.[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-;
InChIKeyAASDGEPFTXFDIU-QDJBTJTOSA-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 ≤ 500367.28
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;porphyrin?
The IUPAC name of cobalt;porphyrin (CID 69089029) is cobalt;porphyrin.
What is the SMILES notation for cobalt;porphyrin?
The canonical SMILES for cobalt;porphyrin is C1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.[Co].
What is the InChIKey of cobalt;porphyrin?
The InChIKey is AASDGEPFTXFDIU-QDJBTJTOSA-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-;.
What are the key properties of cobalt;porphyrin?
cobalt;porphyrin has a molecular weight of 367.28 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;porphyrin is sourced from PubChem (CID 69089029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).