tetrakis((4-methylphenyl)-[(4-methylphenyl)iminomethyl]azanide);bis(molybdenum(2+))

C60H60Mo2N8 — CID 11105141

IUPACtetrakis((4-methylphenyl)-[(4-methylphenyl)iminomethyl]azanide);bis(molybdenum(2+))
SMILESCc1ccc(/N=C/[N-]c2ccc(C)cc2)cc1.Cc1ccc(/N=C/[N-]c2ccc(C)cc2)cc1.Cc1ccc(/N=C/[N-]c2ccc(C)cc2)cc1.Cc1ccc(/N=C/[N-]c2ccc(C)cc2)cc1.[Mo+2].[Mo+2]
InChIInChI=1S/4C15H15N2.2Mo/c4*1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15;;/h4*3-11H,1-2H3;;/q4*-1;2*+2
InChIKeyMXRHZRCNDJVIJG-UHFFFAOYSA-N
MW1085.08 g/mol
LogP18.67
Rot. Bonds12

About tetrakis((4-methylphenyl)-[(4-methylphenyl)iminomethyl]azanide);bis(molybdenum(2+))

tetrakis((4-methylphenyl)-[(4-methylphenyl)iminomethyl]azanide);bis(molybdenum(2+)) (PubChem CID 11105141) has the molecular formula C60H60Mo2N8 and a molecular weight of 1085.08 g/mol. Its IUPAC name is tetrakis((4-methylphenyl)-[(4-methylphenyl)iminomethyl]azanide);bis(molybdenum(2+)).

Molecular Properties

Compound Nametetrakis((4-methylphenyl)-[(4-methylphenyl)iminomethyl]azanide);bis(molybdenum(2+))
PubChem CID11105141
Molecular FormulaC60H60Mo2N8
Molecular Weight1085.08 g/mol
Exact Mass1088.30
IUPAC Nametetrakis((4-methylphenyl)-[(4-methylphenyl)iminomethyl]azanide);bis(molybdenum(2+))
SMILESCc1ccc(/N=C/[N-]c2ccc(C)cc2)cc1.Cc1ccc(/N=C/[N-]c2ccc(C)cc2)cc1.Cc1ccc(/N=C/[N-]c2ccc(C)cc2)cc1.Cc1ccc(/N=C/[N-]c2ccc(C)cc2)cc1.[Mo+2].[Mo+2]
InChIInChI=1S/4C15H15N2.2Mo/c4*1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15;;/h4*3-11H,1-2H3;;/q4*-1;2*+2
InChIKeyMXRHZRCNDJVIJG-UHFFFAOYSA-N
XLogP18.67
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001085.08
LogP ≤ 518.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis((4-methylphenyl)-[(4-methylphenyl)iminomethyl]azanide);bis(molybdenum(2+))?
The IUPAC name of tetrakis((4-methylphenyl)-[(4-methylphenyl)iminomethyl]azanide);bis(molybdenum(2+)) (CID 11105141) is tetrakis((4-methylphenyl)-[(4-methylphenyl)iminomethyl]azanide);bis(molybdenum(2+)).
What is the SMILES notation for tetrakis((4-methylphenyl)-[(4-methylphenyl)iminomethyl]azanide);bis(molybdenum(2+))?
The canonical SMILES for tetrakis((4-methylphenyl)-[(4-methylphenyl)iminomethyl]azanide);bis(molybdenum(2+)) is Cc1ccc(/N=C/[N-]c2ccc(C)cc2)cc1.Cc1ccc(/N=C/[N-]c2ccc(C)cc2)cc1.Cc1ccc(/N=C/[N-]c2ccc(C)cc2)cc1.Cc1ccc(/N=C/[N-]c2ccc(C)cc2)cc1.[Mo+2].[Mo+2].
What is the InChIKey of tetrakis((4-methylphenyl)-[(4-methylphenyl)iminomethyl]azanide);bis(molybdenum(2+))?
The InChIKey is MXRHZRCNDJVIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H15N2.2Mo/c4*1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15;;/h4*3-11H,1-2H3;;/q4*-1;2*+2.
What are the key properties of tetrakis((4-methylphenyl)-[(4-methylphenyl)iminomethyl]azanide);bis(molybdenum(2+))?
tetrakis((4-methylphenyl)-[(4-methylphenyl)iminomethyl]azanide);bis(molybdenum(2+)) has a molecular weight of 1085.08 g/mol, XLogP of 18.67, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((4-methylphenyl)-[(4-methylphenyl)iminomethyl]azanide);bis(molybdenum(2+)) is sourced from PubChem (CID 11105141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).