azanide;cobalt(2+);21,22-dihydroporphyrin

C20H18CoN6 — CID 175060320

IUPACazanide;cobalt(2+);21,22-dihydroporphyrin
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Co+2].[NH2-].[NH2-]
InChIInChI=1S/C20H14N4.Co.2H2N/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;;;/h1-12,21-22H;;2*1H2/q;+2;2*-1/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;
InChIKeyWBSROJXCZFYPHF-PWUAHTGRSA-N
MW401.34 g/mol
LogP6.09
Rot. Bonds

About azanide;cobalt(2+);21,22-dihydroporphyrin

azanide;cobalt(2+);21,22-dihydroporphyrin (PubChem CID 175060320) has the molecular formula C20H18CoN6 and a molecular weight of 401.34 g/mol. Its IUPAC name is azanide;cobalt(2+);21,22-dihydroporphyrin.

Molecular Properties

Compound Nameazanide;cobalt(2+);21,22-dihydroporphyrin
PubChem CID175060320
Molecular FormulaC20H18CoN6
Molecular Weight401.34 g/mol
Exact Mass401.09
IUPAC Nameazanide;cobalt(2+);21,22-dihydroporphyrin
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Co+2].[NH2-].[NH2-]
InChIInChI=1S/C20H14N4.Co.2H2N/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;;;/h1-12,21-22H;;2*1H2/q;+2;2*-1/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;
InChIKeyWBSROJXCZFYPHF-PWUAHTGRSA-N
XLogP6.09
TPSA124.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.34
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azanide;cobalt(2+);21,22-dihydroporphyrin?
The IUPAC name of azanide;cobalt(2+);21,22-dihydroporphyrin (CID 175060320) is azanide;cobalt(2+);21,22-dihydroporphyrin.
What is the SMILES notation for azanide;cobalt(2+);21,22-dihydroporphyrin?
The canonical SMILES for azanide;cobalt(2+);21,22-dihydroporphyrin is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Co+2].[NH2-].[NH2-].
What is the InChIKey of azanide;cobalt(2+);21,22-dihydroporphyrin?
The InChIKey is WBSROJXCZFYPHF-PWUAHTGRSA-N. The full InChI is InChI=1S/C20H14N4.Co.2H2N/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;;;/h1-12,21-22H;;2*1H2/q;+2;2*-1/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;.
What are the key properties of azanide;cobalt(2+);21,22-dihydroporphyrin?
azanide;cobalt(2+);21,22-dihydroporphyrin has a molecular weight of 401.34 g/mol, XLogP of 6.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;cobalt(2+);21,22-dihydroporphyrin is sourced from PubChem (CID 175060320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).