molybdenum;oxygen(2-);phenyl-[(Z)-pyridin-1-id-2-ylideneamino]azanide;bis(phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide);phenyl(pyridin-2-yl)diazene

C56H44Mo2N14O-10 — CID 139141599

IUPACmolybdenum;oxygen(2-);phenyl-[(Z)-pyridin-1-id-2-ylideneamino]azanide;bis(phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide);phenyl(pyridin-2-yl)diazene
SMILES[Mo].[Mo].[O-2].c1ccc(/N=N/c2ccccn2)cc1.c1ccc([N-]/N=c2/cccc[n-]2)cc1.c1ccc([N-]c2ccccc2[N-]/N=c2/cccc[n-]2)cc1.c1ccc([N-]c2ccccc2[N-]/N=c2/cccc[n-]2)cc1
InChIInChI=1S/2C17H13N4.2C11H9N3.2Mo.O/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;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;;;/h2*1-13H;2*1-9H;;;/q2*-3;;-2;;;-2/b;;14-13+;;;;
InChIKeyHVQGLEDALVUZKC-MRHSFRGJSA-N
MW1120.95 g/mol
LogP14.54
Rot. Bonds12

About molybdenum;oxygen(2-);phenyl-[(Z)-pyridin-1-id-2-ylideneamino]azanide;bis(phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide);phenyl(pyridin-2-yl)diazene

molybdenum;oxygen(2-);phenyl-[(Z)-pyridin-1-id-2-ylideneamino]azanide;bis(phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide);phenyl(pyridin-2-yl)diazene (PubChem CID 139141599) has the molecular formula C56H44Mo2N14O-10 and a molecular weight of 1120.95 g/mol. Its IUPAC name is molybdenum;oxygen(2-);phenyl-[(Z)-pyridin-1-id-2-ylideneamino]azanide;bis(phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide);phenyl(pyridin-2-yl)diazene.

Molecular Properties

Compound Namemolybdenum;oxygen(2-);phenyl-[(Z)-pyridin-1-id-2-ylideneamino]azanide;bis(phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide);phenyl(pyridin-2-yl)diazene
PubChem CID139141599
Molecular FormulaC56H44Mo2N14O-10
Molecular Weight1120.95 g/mol
Exact Mass1124.20
IUPAC Namemolybdenum;oxygen(2-);phenyl-[(Z)-pyridin-1-id-2-ylideneamino]azanide;bis(phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide);phenyl(pyridin-2-yl)diazene
SMILES[Mo].[Mo].[O-2].c1ccc(/N=N/c2ccccn2)cc1.c1ccc([N-]/N=c2/cccc[n-]2)cc1.c1ccc([N-]c2ccccc2[N-]/N=c2/cccc[n-]2)cc1.c1ccc([N-]c2ccccc2[N-]/N=c2/cccc[n-]2)cc1
InChIInChI=1S/2C17H13N4.2C11H9N3.2Mo.O/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;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;;;/h2*1-13H;2*1-9H;;;/q2*-3;;-2;;;-2/b;;14-13+;;;;
InChIKeyHVQGLEDALVUZKC-MRHSFRGJSA-N
XLogP14.54
TPSA215.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001120.95
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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;oxygen(2-);phenyl-[(Z)-pyridin-1-id-2-ylideneamino]azanide;bis(phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide);phenyl(pyridin-2-yl)diazene?
The IUPAC name of molybdenum;oxygen(2-);phenyl-[(Z)-pyridin-1-id-2-ylideneamino]azanide;bis(phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide);phenyl(pyridin-2-yl)diazene (CID 139141599) is molybdenum;oxygen(2-);phenyl-[(Z)-pyridin-1-id-2-ylideneamino]azanide;bis(phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide);phenyl(pyridin-2-yl)diazene.
What is the SMILES notation for molybdenum;oxygen(2-);phenyl-[(Z)-pyridin-1-id-2-ylideneamino]azanide;bis(phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide);phenyl(pyridin-2-yl)diazene?
The canonical SMILES for molybdenum;oxygen(2-);phenyl-[(Z)-pyridin-1-id-2-ylideneamino]azanide;bis(phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide);phenyl(pyridin-2-yl)diazene is [Mo].[Mo].[O-2].c1ccc(/N=N/c2ccccn2)cc1.c1ccc([N-]/N=c2/cccc[n-]2)cc1.c1ccc([N-]c2ccccc2[N-]/N=c2/cccc[n-]2)cc1.c1ccc([N-]c2ccccc2[N-]/N=c2/cccc[n-]2)cc1.
What is the InChIKey of molybdenum;oxygen(2-);phenyl-[(Z)-pyridin-1-id-2-ylideneamino]azanide;bis(phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide);phenyl(pyridin-2-yl)diazene?
The InChIKey is HVQGLEDALVUZKC-MRHSFRGJSA-N. The full InChI is InChI=1S/2C17H13N4.2C11H9N3.2Mo.O/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;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12-11;;;/h2*1-13H;2*1-9H;;;/q2*-3;;-2;;;-2/b;;14-13+;;;;.
What are the key properties of molybdenum;oxygen(2-);phenyl-[(Z)-pyridin-1-id-2-ylideneamino]azanide;bis(phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide);phenyl(pyridin-2-yl)diazene?
molybdenum;oxygen(2-);phenyl-[(Z)-pyridin-1-id-2-ylideneamino]azanide;bis(phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide);phenyl(pyridin-2-yl)diazene has a molecular weight of 1120.95 g/mol, XLogP of 14.54, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;oxygen(2-);phenyl-[(Z)-pyridin-1-id-2-ylideneamino]azanide;bis(phenyl-[2-[(Z)-pyridin-1-id-2-ylideneamino]azanidylphenyl]azanide);phenyl(pyridin-2-yl)diazene is sourced from PubChem (CID 139141599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).