bis(diethylazanide);bis(di(propan-2-yl)azanide);molybdenum(4+)

C20H48MoN4 — CID 87312374

IUPACbis(diethylazanide);bis(di(propan-2-yl)azanide);molybdenum(4+)
SMILESCC(C)[N-]C(C)C.CC(C)[N-]C(C)C.CC[N-]CC.CC[N-]CC.[Mo+4]
InChIInChI=1S/2C6H14N.2C4H10N.Mo/c2*1-5(2)7-6(3)4;2*1-3-5-4-2;/h2*5-6H,1-4H3;2*3-4H2,1-2H3;/q4*-1;+4
InChIKeyZKNFECIXUXVWCQ-UHFFFAOYSA-N
MW440.57 g/mol
LogP7.15
Rot. Bonds8

About bis(diethylazanide);bis(di(propan-2-yl)azanide);molybdenum(4+)

bis(diethylazanide);bis(di(propan-2-yl)azanide);molybdenum(4+) (PubChem CID 87312374) has the molecular formula C20H48MoN4 and a molecular weight of 440.57 g/mol. Its IUPAC name is bis(diethylazanide);bis(di(propan-2-yl)azanide);molybdenum(4+).

Molecular Properties

Compound Namebis(diethylazanide);bis(di(propan-2-yl)azanide);molybdenum(4+)
PubChem CID87312374
Molecular FormulaC20H48MoN4
Molecular Weight440.57 g/mol
Exact Mass442.29
IUPAC Namebis(diethylazanide);bis(di(propan-2-yl)azanide);molybdenum(4+)
SMILESCC(C)[N-]C(C)C.CC(C)[N-]C(C)C.CC[N-]CC.CC[N-]CC.[Mo+4]
InChIInChI=1S/2C6H14N.2C4H10N.Mo/c2*1-5(2)7-6(3)4;2*1-3-5-4-2;/h2*5-6H,1-4H3;2*3-4H2,1-2H3;/q4*-1;+4
InChIKeyZKNFECIXUXVWCQ-UHFFFAOYSA-N
XLogP7.15
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(diethylazanide);bis(di(propan-2-yl)azanide);molybdenum(4+)?
The IUPAC name of bis(diethylazanide);bis(di(propan-2-yl)azanide);molybdenum(4+) (CID 87312374) is bis(diethylazanide);bis(di(propan-2-yl)azanide);molybdenum(4+).
What is the SMILES notation for bis(diethylazanide);bis(di(propan-2-yl)azanide);molybdenum(4+)?
The canonical SMILES for bis(diethylazanide);bis(di(propan-2-yl)azanide);molybdenum(4+) is CC(C)[N-]C(C)C.CC(C)[N-]C(C)C.CC[N-]CC.CC[N-]CC.[Mo+4].
What is the InChIKey of bis(diethylazanide);bis(di(propan-2-yl)azanide);molybdenum(4+)?
The InChIKey is ZKNFECIXUXVWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14N.2C4H10N.Mo/c2*1-5(2)7-6(3)4;2*1-3-5-4-2;/h2*5-6H,1-4H3;2*3-4H2,1-2H3;/q4*-1;+4.
What are the key properties of bis(diethylazanide);bis(di(propan-2-yl)azanide);molybdenum(4+)?
bis(diethylazanide);bis(di(propan-2-yl)azanide);molybdenum(4+) has a molecular weight of 440.57 g/mol, XLogP of 7.15, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diethylazanide);bis(di(propan-2-yl)azanide);molybdenum(4+) is sourced from PubChem (CID 87312374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).