cobalt;21,22-dihydroporphyrin;1,3,5-triazine

C23H17CoN7 — CID 175225634

IUPACcobalt;21,22-dihydroporphyrin;1,3,5-triazine
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Co].c1ncncn1
InChIInChI=1S/C20H14N4.C3H3N3.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;1-4-2-6-3-5-1;/h1-12,21-22H;1-3H;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;
InChIKeyVGDWGCZQWILOMA-IAULSPAKSA-N
MW450.37 g/mol
LogP4.52
Rot. Bonds

About cobalt;21,22-dihydroporphyrin;1,3,5-triazine

cobalt;21,22-dihydroporphyrin;1,3,5-triazine (PubChem CID 175225634) has the molecular formula C23H17CoN7 and a molecular weight of 450.37 g/mol. Its IUPAC name is cobalt;21,22-dihydroporphyrin;1,3,5-triazine.

Molecular Properties

Compound Namecobalt;21,22-dihydroporphyrin;1,3,5-triazine
PubChem CID175225634
Molecular FormulaC23H17CoN7
Molecular Weight450.37 g/mol
Exact Mass450.09
IUPAC Namecobalt;21,22-dihydroporphyrin;1,3,5-triazine
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Co].c1ncncn1
InChIInChI=1S/C20H14N4.C3H3N3.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;1-4-2-6-3-5-1;/h1-12,21-22H;1-3H;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;
InChIKeyVGDWGCZQWILOMA-IAULSPAKSA-N
XLogP4.52
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 173436903
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Frequently Asked Questions

What is the IUPAC name of cobalt;21,22-dihydroporphyrin;1,3,5-triazine?
The IUPAC name of cobalt;21,22-dihydroporphyrin;1,3,5-triazine (CID 175225634) is cobalt;21,22-dihydroporphyrin;1,3,5-triazine.
What is the SMILES notation for cobalt;21,22-dihydroporphyrin;1,3,5-triazine?
The canonical SMILES for cobalt;21,22-dihydroporphyrin;1,3,5-triazine is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Co].c1ncncn1.
What is the InChIKey of cobalt;21,22-dihydroporphyrin;1,3,5-triazine?
The InChIKey is VGDWGCZQWILOMA-IAULSPAKSA-N. The full InChI is InChI=1S/C20H14N4.C3H3N3.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;1-4-2-6-3-5-1;/h1-12,21-22H;1-3H;/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;1,3,5-triazine?
cobalt;21,22-dihydroporphyrin;1,3,5-triazine has a molecular weight of 450.37 g/mol, XLogP of 4.52, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;21,22-dihydroporphyrin;1,3,5-triazine is sourced from PubChem (CID 175225634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).