cyanoiminomethylideneazanide;manganese(2+);bis(1,10-phenanthroline)

C28H16MnN10 — CID 139057755

IUPACcyanoiminomethylideneazanide;manganese(2+);bis(1,10-phenanthroline)
SMILESN#CN=C=[N-].N#CN=C=[N-].[Mn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C2N3.Mn/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*3-1-5-2-4;/h2*1-8H;;;/q;;2*-1;+2
InChIKeyHEEMXVCOYRYGQH-UHFFFAOYSA-N
MW547.44 g/mol
LogP5.99
Rot. Bonds

About cyanoiminomethylideneazanide;manganese(2+);bis(1,10-phenanthroline)

cyanoiminomethylideneazanide;manganese(2+);bis(1,10-phenanthroline) (PubChem CID 139057755) has the molecular formula C28H16MnN10 and a molecular weight of 547.44 g/mol. Its IUPAC name is cyanoiminomethylideneazanide;manganese(2+);bis(1,10-phenanthroline).

Molecular Properties

Compound Namecyanoiminomethylideneazanide;manganese(2+);bis(1,10-phenanthroline)
PubChem CID139057755
Molecular FormulaC28H16MnN10
Molecular Weight547.44 g/mol
Exact Mass547.09
IUPAC Namecyanoiminomethylideneazanide;manganese(2+);bis(1,10-phenanthroline)
SMILESN#CN=C=[N-].N#CN=C=[N-].[Mn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C2N3.Mn/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*3-1-5-2-4;/h2*1-8H;;;/q;;2*-1;+2
InChIKeyHEEMXVCOYRYGQH-UHFFFAOYSA-N
XLogP5.99
TPSA168.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.44
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyanoiminomethylideneazanide;manganese(2+);bis(1,10-phenanthroline)?
The IUPAC name of cyanoiminomethylideneazanide;manganese(2+);bis(1,10-phenanthroline) (CID 139057755) is cyanoiminomethylideneazanide;manganese(2+);bis(1,10-phenanthroline).
What is the SMILES notation for cyanoiminomethylideneazanide;manganese(2+);bis(1,10-phenanthroline)?
The canonical SMILES for cyanoiminomethylideneazanide;manganese(2+);bis(1,10-phenanthroline) is N#CN=C=[N-].N#CN=C=[N-].[Mn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of cyanoiminomethylideneazanide;manganese(2+);bis(1,10-phenanthroline)?
The InChIKey is HEEMXVCOYRYGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.2C2N3.Mn/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*3-1-5-2-4;/h2*1-8H;;;/q;;2*-1;+2.
What are the key properties of cyanoiminomethylideneazanide;manganese(2+);bis(1,10-phenanthroline)?
cyanoiminomethylideneazanide;manganese(2+);bis(1,10-phenanthroline) has a molecular weight of 547.44 g/mol, XLogP of 5.99, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyanoiminomethylideneazanide;manganese(2+);bis(1,10-phenanthroline) is sourced from PubChem (CID 139057755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).