3-methyl-2-phenyl-5-(2-phenylphenyl)benzo[g]quinoxaline

C31H22N2 — CID 160770439

IUPAC3-methyl-2-phenyl-5-(2-phenylphenyl)benzo[g]quinoxaline
SMILESCc1nc2c(-c3ccccc3-c3ccccc3)c3ccccc3cc2nc1-c1ccccc1
InChIInChI=1S/C31H22N2/c1-21-30(23-14-6-3-7-15-23)33-28-20-24-16-8-9-18-26(24)29(31(28)32-21)27-19-11-10-17-25(27)22-12-4-2-5-13-22/h2-20H,1H3
InChIKeyDBNGYNUUEADVDY-UHFFFAOYSA-N
MW422.53 g/mol
LogP8.09
Rot. Bonds3

About 3-methyl-2-phenyl-5-(2-phenylphenyl)benzo[g]quinoxaline

3-methyl-2-phenyl-5-(2-phenylphenyl)benzo[g]quinoxaline (PubChem CID 160770439) has the molecular formula C31H22N2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-methyl-2-phenyl-5-(2-phenylphenyl)benzo[g]quinoxaline.

Molecular Properties

Compound Name3-methyl-2-phenyl-5-(2-phenylphenyl)benzo[g]quinoxaline
PubChem CID160770439
Molecular FormulaC31H22N2
Molecular Weight422.53 g/mol
Exact Mass422.18
IUPAC Name3-methyl-2-phenyl-5-(2-phenylphenyl)benzo[g]quinoxaline
SMILESCc1nc2c(-c3ccccc3-c3ccccc3)c3ccccc3cc2nc1-c1ccccc1
InChIInChI=1S/C31H22N2/c1-21-30(23-14-6-3-7-15-23)33-28-20-24-16-8-9-18-26(24)29(31(28)32-21)27-19-11-10-17-25(27)22-12-4-2-5-13-22/h2-20H,1H3
InChIKeyDBNGYNUUEADVDY-UHFFFAOYSA-N
XLogP8.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-methyl-2-phenyl-5-(2-phenylphenyl)benzo[g]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-naphthalen-2-yl-2-phenylbenzo[f]quinoxaline
CID 161045584
2-methyl-3-phenyl-10-(3-phenylphenyl)benzo[f]quinoxaline
CID 158212750
2-methyl-1-(2-phenylphenyl)naphthalene
CID 102027516
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
2,3,5-trimethyl-6-(4-naphthalen-1-ylphenyl)pyrazine
CID 58461112
4,5,10,11,16,17-hexakis-phenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene;3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene;3,18,21,28,31,46-hexazaundecacyclo[28.16.0.02,19.04,17.05,10.011,16.020,29.022,27.032,45.033,38.039,44]hexatetraconta-1(46),2,4(17),5,7,9,11,13,15,18,20,22,24,26,28,30,32(45),33,35,37,39,41,43-tricosaene;4,10,16-trimethyl-5,11,17-triphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 160924410
2-methyl-4,10-diphenylbenzo[g]quinazoline
CID 160887193
2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
CID 157347994
3-bromo-2-iodo-1-(2-phenylphenyl)naphthalene
CID 71079311
9-(3-phenanthren-9-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58151317
3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265
2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 58299261

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-5-(2-phenylphenyl)benzo[g]quinoxaline?
The IUPAC name of 3-methyl-2-phenyl-5-(2-phenylphenyl)benzo[g]quinoxaline (CID 160770439) is 3-methyl-2-phenyl-5-(2-phenylphenyl)benzo[g]quinoxaline.
What is the SMILES notation for 3-methyl-2-phenyl-5-(2-phenylphenyl)benzo[g]quinoxaline?
The canonical SMILES for 3-methyl-2-phenyl-5-(2-phenylphenyl)benzo[g]quinoxaline is Cc1nc2c(-c3ccccc3-c3ccccc3)c3ccccc3cc2nc1-c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-5-(2-phenylphenyl)benzo[g]quinoxaline?
The InChIKey is DBNGYNUUEADVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2/c1-21-30(23-14-6-3-7-15-23)33-28-20-24-16-8-9-18-26(24)29(31(28)32-21)27-19-11-10-17-25(27)22-12-4-2-5-13-22/h2-20H,1H3.
What are the key properties of 3-methyl-2-phenyl-5-(2-phenylphenyl)benzo[g]quinoxaline?
3-methyl-2-phenyl-5-(2-phenylphenyl)benzo[g]quinoxaline has a molecular weight of 422.53 g/mol, XLogP of 8.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-5-(2-phenylphenyl)benzo[g]quinoxaline is sourced from PubChem (CID 160770439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).