bis(diethylazanide);molybdenum(4+);bis((2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene)

C78H70MoN2 — CID 155669314

IUPACbis(diethylazanide);molybdenum(4+);bis((2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene)
SMILESCC[N-]CC.CC[N-]CC.[Mo+4].c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)[c-](-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)[c-](-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/2C35H25.2C4H10N.Mo/c2*1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;2*1-3-5-4-2;/h2*1-25H;2*3-4H2,1-2H3;/q4*-1;+4
InChIKeyXPBQLSGAYWLFQY-UHFFFAOYSA-N
MW1131.37 g/mol
LogP22.28
Rot. Bonds14

About bis(diethylazanide);molybdenum(4+);bis((2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene)

bis(diethylazanide);molybdenum(4+);bis((2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene) (PubChem CID 155669314) has the molecular formula C78H70MoN2 and a molecular weight of 1131.37 g/mol. Its IUPAC name is bis(diethylazanide);molybdenum(4+);bis((2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene).

Molecular Properties

Compound Namebis(diethylazanide);molybdenum(4+);bis((2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene)
PubChem CID155669314
Molecular FormulaC78H70MoN2
Molecular Weight1131.37 g/mol
Exact Mass1132.46
IUPAC Namebis(diethylazanide);molybdenum(4+);bis((2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene)
SMILESCC[N-]CC.CC[N-]CC.[Mo+4].c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)[c-](-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)[c-](-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/2C35H25.2C4H10N.Mo/c2*1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;2*1-3-5-4-2;/h2*1-25H;2*3-4H2,1-2H3;/q4*-1;+4
InChIKeyXPBQLSGAYWLFQY-UHFFFAOYSA-N
XLogP22.28
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.37
LogP ≤ 522.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(diethylazanide);molybdenum(4+);bis((2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene)?
The IUPAC name of bis(diethylazanide);molybdenum(4+);bis((2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene) (CID 155669314) is bis(diethylazanide);molybdenum(4+);bis((2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene).
What is the SMILES notation for bis(diethylazanide);molybdenum(4+);bis((2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene)?
The canonical SMILES for bis(diethylazanide);molybdenum(4+);bis((2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene) is CC[N-]CC.CC[N-]CC.[Mo+4].c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)[c-](-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)[c-](-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of bis(diethylazanide);molybdenum(4+);bis((2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene)?
The InChIKey is XPBQLSGAYWLFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H25.2C4H10N.Mo/c2*1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;2*1-3-5-4-2;/h2*1-25H;2*3-4H2,1-2H3;/q4*-1;+4.
What are the key properties of bis(diethylazanide);molybdenum(4+);bis((2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene)?
bis(diethylazanide);molybdenum(4+);bis((2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene) has a molecular weight of 1131.37 g/mol, XLogP of 22.28, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diethylazanide);molybdenum(4+);bis((2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene) is sourced from PubChem (CID 155669314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).