5,7-dimethylphenanthro[9,10-b]quinoxaline

C22H16N2 — CID 165358551

IUPAC5,7-dimethylphenanthro[9,10-b]quinoxaline
SMILESCc1cc(C)c2c3ccccc3c3nc4ccccc4nc3c2c1
InChIInChI=1S/C22H16N2/c1-13-11-14(2)20-15-7-3-4-8-16(15)21-22(17(20)12-13)24-19-10-6-5-9-18(19)23-21/h3-12H,1-2H3
InChIKeyBSCXSOMQBAXQCA-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.71
Rot. Bonds

About 5,7-dimethylphenanthro[9,10-b]quinoxaline

5,7-dimethylphenanthro[9,10-b]quinoxaline (PubChem CID 165358551) has the molecular formula C22H16N2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5,7-dimethylphenanthro[9,10-b]quinoxaline.

Molecular Properties

Compound Name5,7-dimethylphenanthro[9,10-b]quinoxaline
PubChem CID165358551
Molecular FormulaC22H16N2
Molecular Weight308.38 g/mol
Exact Mass308.13
IUPAC Name5,7-dimethylphenanthro[9,10-b]quinoxaline
SMILESCc1cc(C)c2c3ccccc3c3nc4ccccc4nc3c2c1
InChIInChI=1S/C22H16N2/c1-13-11-14(2)20-15-7-3-4-8-16(15)21-22(17(20)12-13)24-19-10-6-5-9-18(19)23-21/h3-12H,1-2H3
InChIKeyBSCXSOMQBAXQCA-UHFFFAOYSA-N
XLogP5.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylphenanthro[9,10-b]quinoxaline?
The IUPAC name of 5,7-dimethylphenanthro[9,10-b]quinoxaline (CID 165358551) is 5,7-dimethylphenanthro[9,10-b]quinoxaline.
What is the SMILES notation for 5,7-dimethylphenanthro[9,10-b]quinoxaline?
The canonical SMILES for 5,7-dimethylphenanthro[9,10-b]quinoxaline is Cc1cc(C)c2c3ccccc3c3nc4ccccc4nc3c2c1.
What is the InChIKey of 5,7-dimethylphenanthro[9,10-b]quinoxaline?
The InChIKey is BSCXSOMQBAXQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2/c1-13-11-14(2)20-15-7-3-4-8-16(15)21-22(17(20)12-13)24-19-10-6-5-9-18(19)23-21/h3-12H,1-2H3.
What are the key properties of 5,7-dimethylphenanthro[9,10-b]quinoxaline?
5,7-dimethylphenanthro[9,10-b]quinoxaline has a molecular weight of 308.38 g/mol, XLogP of 5.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylphenanthro[9,10-b]quinoxaline is sourced from PubChem (CID 165358551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).