2-phenyldiazenylanthracene-9,10-dione

C20H12N2O2 — CID 88640255

IUPAC2-phenyldiazenylanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(/N=N/c3ccccc3)ccc21
InChIInChI=1S/C20H12N2O2/c23-19-15-8-4-5-9-16(15)20(24)18-12-14(10-11-17(18)19)22-21-13-6-2-1-3-7-13/h1-12H/b22-21+
InChIKeyMDARTDLAZGIPSG-QURGRASLSA-N
MW312.33 g/mol
LogP4.88
Rot. Bonds2

About 2-phenyldiazenylanthracene-9,10-dione

2-phenyldiazenylanthracene-9,10-dione (PubChem CID 88640255) has the molecular formula C20H12N2O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-phenyldiazenylanthracene-9,10-dione.

Molecular Properties

Compound Name2-phenyldiazenylanthracene-9,10-dione
PubChem CID88640255
Molecular FormulaC20H12N2O2
Molecular Weight312.33 g/mol
Exact Mass312.09
IUPAC Name2-phenyldiazenylanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(/N=N/c3ccccc3)ccc21
InChIInChI=1S/C20H12N2O2/c23-19-15-8-4-5-9-16(15)20(24)18-12-14(10-11-17(18)19)22-21-13-6-2-1-3-7-13/h1-12H/b22-21+
InChIKeyMDARTDLAZGIPSG-QURGRASLSA-N
XLogP4.88
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyldiazenylanthracene-9,10-dione?
The IUPAC name of 2-phenyldiazenylanthracene-9,10-dione (CID 88640255) is 2-phenyldiazenylanthracene-9,10-dione.
What is the SMILES notation for 2-phenyldiazenylanthracene-9,10-dione?
The canonical SMILES for 2-phenyldiazenylanthracene-9,10-dione is O=C1c2ccccc2C(=O)c2cc(/N=N/c3ccccc3)ccc21.
What is the InChIKey of 2-phenyldiazenylanthracene-9,10-dione?
The InChIKey is MDARTDLAZGIPSG-QURGRASLSA-N. The full InChI is InChI=1S/C20H12N2O2/c23-19-15-8-4-5-9-16(15)20(24)18-12-14(10-11-17(18)19)22-21-13-6-2-1-3-7-13/h1-12H/b22-21+.
What are the key properties of 2-phenyldiazenylanthracene-9,10-dione?
2-phenyldiazenylanthracene-9,10-dione has a molecular weight of 312.33 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyldiazenylanthracene-9,10-dione is sourced from PubChem (CID 88640255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).