cobalt;21,22-dihydroporphyrin;2-pyridin-2-ylpyridine

C30H22CoN6 — CID 174888038

IUPACcobalt;21,22-dihydroporphyrin;2-pyridin-2-ylpyridine
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Co].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C20H14N4.C10H8N2.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;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-12,21-22H;1-8H;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;
InChIKeyDVGMVGUFLXONHC-IAULSPAKSA-N
MW525.48 g/mol
LogP6.80
Rot. Bonds1

About cobalt;21,22-dihydroporphyrin;2-pyridin-2-ylpyridine

cobalt;21,22-dihydroporphyrin;2-pyridin-2-ylpyridine (PubChem CID 174888038) has the molecular formula C30H22CoN6 and a molecular weight of 525.48 g/mol. Its IUPAC name is cobalt;21,22-dihydroporphyrin;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namecobalt;21,22-dihydroporphyrin;2-pyridin-2-ylpyridine
PubChem CID174888038
Molecular FormulaC30H22CoN6
Molecular Weight525.48 g/mol
Exact Mass525.12
IUPAC Namecobalt;21,22-dihydroporphyrin;2-pyridin-2-ylpyridine
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Co].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C20H14N4.C10H8N2.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;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-12,21-22H;1-8H;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;
InChIKeyDVGMVGUFLXONHC-IAULSPAKSA-N
XLogP6.80
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.48
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cobalt;21,22-dihydroporphyrin;2-pyridin-2-ylpyridine?
The IUPAC name of cobalt;21,22-dihydroporphyrin;2-pyridin-2-ylpyridine (CID 174888038) is cobalt;21,22-dihydroporphyrin;2-pyridin-2-ylpyridine.
What is the SMILES notation for cobalt;21,22-dihydroporphyrin;2-pyridin-2-ylpyridine?
The canonical SMILES for cobalt;21,22-dihydroporphyrin;2-pyridin-2-ylpyridine is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Co].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of cobalt;21,22-dihydroporphyrin;2-pyridin-2-ylpyridine?
The InChIKey is DVGMVGUFLXONHC-IAULSPAKSA-N. The full InChI is InChI=1S/C20H14N4.C10H8N2.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;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h1-12,21-22H;1-8H;/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;2-pyridin-2-ylpyridine?
cobalt;21,22-dihydroporphyrin;2-pyridin-2-ylpyridine has a molecular weight of 525.48 g/mol, XLogP of 6.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;21,22-dihydroporphyrin;2-pyridin-2-ylpyridine is sourced from PubChem (CID 174888038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).