phenanthro[9,10-b]quinoxaline

C20H12N2 — CID 9166

IUPACphenanthro[9,10-b]quinoxaline
SMILESc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1
InChIInChI=1S/C20H12N2/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)20-19(15)21-17-11-5-6-12-18(17)22-20/h1-12H
InChIKeyKHPYJVQRBJJYSF-UHFFFAOYSA-N
MW280.33 g/mol
LogP5.09
Rot. Bonds

About phenanthro[9,10-b]quinoxaline

phenanthro[9,10-b]quinoxaline (PubChem CID 9166) has the molecular formula C20H12N2 and a molecular weight of 280.33 g/mol. Its IUPAC name is phenanthro[9,10-b]quinoxaline.

Molecular Properties

Compound Namephenanthro[9,10-b]quinoxaline
PubChem CID9166
Molecular FormulaC20H12N2
Molecular Weight280.33 g/mol
Exact Mass280.10
IUPAC Namephenanthro[9,10-b]quinoxaline
SMILESc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1
InChIInChI=1S/C20H12N2/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)20-19(15)21-17-11-5-6-12-18(17)22-20/h1-12H
InChIKeyKHPYJVQRBJJYSF-UHFFFAOYSA-N
XLogP5.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.33
LogP ≤ 55.09
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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Related Compounds

Benz(c)acridine
CID 9181
4,7-Diphenyl-1,10-phenanthroline
CID 72812
2,9-Dimethyl-1,10-phenanthroline
CID 65237
Dibenz(a,j)acridine
CID 9177
DIBENZ(a,h)ACRIDINE
CID 9183
Dibenz(c,h)acridine
CID 9178
Bathocuproine
CID 65149
5-Methyl-1,10-phenanthroline
CID 72791
5,6-Dimethyl-1,10-phenanthroline
CID 76357
Benz(a)acridine
CID 9180
7-Methylbenz(c)acridine
CID 76861
Dibenz(a,c)acridine
CID 9165

Frequently Asked Questions

What is the IUPAC name of phenanthro[9,10-b]quinoxaline?
The IUPAC name of phenanthro[9,10-b]quinoxaline (CID 9166) is phenanthro[9,10-b]quinoxaline.
What is the SMILES notation for phenanthro[9,10-b]quinoxaline?
The canonical SMILES for phenanthro[9,10-b]quinoxaline is c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1.
What is the InChIKey of phenanthro[9,10-b]quinoxaline?
The InChIKey is KHPYJVQRBJJYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)20-19(15)21-17-11-5-6-12-18(17)22-20/h1-12H.
What are the key properties of phenanthro[9,10-b]quinoxaline?
phenanthro[9,10-b]quinoxaline has a molecular weight of 280.33 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthro[9,10-b]quinoxaline is sourced from PubChem (CID 9166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).