2-diazo-1,6-diphenylhexane-1,6-dione

C18H16N2O2 — CID 85159146

IUPAC2-diazo-1,6-diphenylhexane-1,6-dione
SMILES[N-]=[N+]=C(CCCC(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H16N2O2/c19-20-16(18(22)15-10-5-2-6-11-15)12-7-13-17(21)14-8-3-1-4-9-14/h1-6,8-11H,7,12-13H2
InChIKeyWQPGGQRDOCLHNV-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.59
Rot. Bonds7

About 2-diazo-1,6-diphenylhexane-1,6-dione

2-diazo-1,6-diphenylhexane-1,6-dione (PubChem CID 85159146) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-diazo-1,6-diphenylhexane-1,6-dione.

Molecular Properties

Compound Name2-diazo-1,6-diphenylhexane-1,6-dione
PubChem CID85159146
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-diazo-1,6-diphenylhexane-1,6-dione
SMILES[N-]=[N+]=C(CCCC(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H16N2O2/c19-20-16(18(22)15-10-5-2-6-11-15)12-7-13-17(21)14-8-3-1-4-9-14/h1-6,8-11H,7,12-13H2
InChIKeyWQPGGQRDOCLHNV-UHFFFAOYSA-N
XLogP3.59
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1,8-diphenyloctane-1,4,8-trione
CID 140639847
1,15-diphenylpentadecane-1,15-dione
CID 159981687
5-oxo-5-phenylpentanamide
CID 3787245
1,8-diphenyloctane-1,3,8-trione
CID 140639735
12-hydroxy-1-phenyldodecan-1-one
CID 11482778
1-phenylheptane-1,6-dione
CID 11333176
ethane;1-phenylpentan-1-one
CID 143728184
4-oxo-4-phenylbutanethioic S-acid
CID 54460780
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
1-phenylheptadecan-1-one
CID 577626
1-phenyloctadecane-1,17-dione
CID 70545901
1-phenyldodecane-1,11-dione
CID 13147766

Frequently Asked Questions

What is the IUPAC name of 2-diazo-1,6-diphenylhexane-1,6-dione?
The IUPAC name of 2-diazo-1,6-diphenylhexane-1,6-dione (CID 85159146) is 2-diazo-1,6-diphenylhexane-1,6-dione.
What is the SMILES notation for 2-diazo-1,6-diphenylhexane-1,6-dione?
The canonical SMILES for 2-diazo-1,6-diphenylhexane-1,6-dione is [N-]=[N+]=C(CCCC(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-diazo-1,6-diphenylhexane-1,6-dione?
The InChIKey is WQPGGQRDOCLHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c19-20-16(18(22)15-10-5-2-6-11-15)12-7-13-17(21)14-8-3-1-4-9-14/h1-6,8-11H,7,12-13H2.
What are the key properties of 2-diazo-1,6-diphenylhexane-1,6-dione?
2-diazo-1,6-diphenylhexane-1,6-dione has a molecular weight of 292.34 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-1,6-diphenylhexane-1,6-dione is sourced from PubChem (CID 85159146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).