molybdenum(4+);phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide

C34H26MoN8 — CID 139130643

IUPACmolybdenum(4+);phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide
SMILES[Mo+4].c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2[N-]/N=c2/cccc[n-]2)cc1
InChIInChI=1S/2C17H13N4.Mo/c2*1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20-21-17-12-6-7-13-18-17;/h2*1-13H;/q-1;-3;+4/b21-20+;;
InChIKeyIRIWFLXETHIQGE-SERMZQFOSA-N
MW642.58 g/mol
LogP10.33
Rot. Bonds8

About molybdenum(4+);phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide

molybdenum(4+);phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide (PubChem CID 139130643) has the molecular formula C34H26MoN8 and a molecular weight of 642.58 g/mol. Its IUPAC name is molybdenum(4+);phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide.

Molecular Properties

Compound Namemolybdenum(4+);phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide
PubChem CID139130643
Molecular FormulaC34H26MoN8
Molecular Weight642.58 g/mol
Exact Mass644.13
IUPAC Namemolybdenum(4+);phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide
SMILES[Mo+4].c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2[N-]/N=c2/cccc[n-]2)cc1
InChIInChI=1S/2C17H13N4.Mo/c2*1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20-21-17-12-6-7-13-18-17;/h2*1-13H;/q-1;-3;+4/b21-20+;;
InChIKeyIRIWFLXETHIQGE-SERMZQFOSA-N
XLogP10.33
TPSA106.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.58
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of molybdenum(4+);phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide?
The IUPAC name of molybdenum(4+);phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide (CID 139130643) is molybdenum(4+);phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide.
What is the SMILES notation for molybdenum(4+);phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide?
The canonical SMILES for molybdenum(4+);phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide is [Mo+4].c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2[N-]/N=c2/cccc[n-]2)cc1.
What is the InChIKey of molybdenum(4+);phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide?
The InChIKey is IRIWFLXETHIQGE-SERMZQFOSA-N. The full InChI is InChI=1S/2C17H13N4.Mo/c2*1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20-21-17-12-6-7-13-18-17;/h2*1-13H;/q-1;-3;+4/b21-20+;;.
What are the key properties of molybdenum(4+);phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide?
molybdenum(4+);phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide has a molecular weight of 642.58 g/mol, XLogP of 10.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum(4+);phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide;phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide is sourced from PubChem (CID 139130643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).