2-methyl-3-phenyl-10-(3-phenylphenyl)benzo[f]quinoxaline

C31H22N2 — CID 158212750

IUPAC2-methyl-3-phenyl-10-(3-phenylphenyl)benzo[f]quinoxaline
SMILESCc1nc2c(ccc3cccc(-c4cccc(-c5ccccc5)c4)c32)nc1-c1ccccc1
InChIInChI=1S/C31H22N2/c1-21-30(24-12-6-3-7-13-24)33-28-19-18-23-14-9-17-27(29(23)31(28)32-21)26-16-8-15-25(20-26)22-10-4-2-5-11-22/h2-20H,1H3
InChIKeyHFHURFOVIWWHOZ-UHFFFAOYSA-N
MW422.53 g/mol
LogP8.09
Rot. Bonds3

About 2-methyl-3-phenyl-10-(3-phenylphenyl)benzo[f]quinoxaline

2-methyl-3-phenyl-10-(3-phenylphenyl)benzo[f]quinoxaline (PubChem CID 158212750) has the molecular formula C31H22N2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-methyl-3-phenyl-10-(3-phenylphenyl)benzo[f]quinoxaline.

Molecular Properties

Compound Name2-methyl-3-phenyl-10-(3-phenylphenyl)benzo[f]quinoxaline
PubChem CID158212750
Molecular FormulaC31H22N2
Molecular Weight422.53 g/mol
Exact Mass422.18
IUPAC Name2-methyl-3-phenyl-10-(3-phenylphenyl)benzo[f]quinoxaline
SMILESCc1nc2c(ccc3cccc(-c4cccc(-c5ccccc5)c4)c32)nc1-c1ccccc1
InChIInChI=1S/C31H22N2/c1-21-30(24-12-6-3-7-13-24)33-28-19-18-23-14-9-17-27(29(23)31(28)32-21)26-16-8-15-25(20-26)22-10-4-2-5-11-22/h2-20H,1H3
InChIKeyHFHURFOVIWWHOZ-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_3', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3,5-diphenylbenzo[f]quinoxaline;2-methyl-3,6-diphenylbenzo[f]quinoxaline;2-methyl-3,7-diphenylbenzo[f]quinoxaline;2-methyl-3,8-diphenylbenzo[f]quinoxaline;2-methyl-3,9-diphenylbenzo[f]quinoxaline;2-methyl-3,10-diphenylbenzo[f]quinoxaline;3-methyl-1-phenyl-6-(2-phenylphenyl)benzo[f]quinazoline;3-methyl-1-phenyl-6-(3-phenylphenyl)benzo[f]quinazoline;3-methyl-1-phenyl-6-(4-phenylphenyl)benzo[f]quinazoline;2-methyl-3-phenyl-10-(3-phenylphenyl)benzo[f]quinoxaline;2-methyl-3-phenyl-10-(4-phenylphenyl)benzo[f]quinoxaline
CID 158212740
1,8-bis(6-phenylnaphthalen-2-yl)naphthalene
CID 123306043
5-(4-naphthalen-2-ylphenyl)-2,3-diphenylquinoxaline
CID 146334552
3-methyl-2-phenyl-5-(2-phenylphenyl)benzo[g]quinoxaline
CID 160770439
2-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548633
2,3-bis(3-phenylphenyl)quinoxaline;2,3-bis(4-phenylphenyl)quinoxaline;5-(3,5-dinaphthalen-2-ylphenyl)-2,3-diphenylquinoxaline;5-(4-naphthalen-2-ylphenyl)-2,3-diphenylquinoxaline
CID 159465562
2-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549212
2-phenyl-3-(3-phenylphenyl)quinoxaline
CID 175058958
2-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[g][1,3]benzoxazole
CID 176764392
2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline
CID 176785222
2-methyl-1,3-bis(3-phenylphenyl)benzene
CID 162497496
2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline
CID 146548655

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-10-(3-phenylphenyl)benzo[f]quinoxaline?
The IUPAC name of 2-methyl-3-phenyl-10-(3-phenylphenyl)benzo[f]quinoxaline (CID 158212750) is 2-methyl-3-phenyl-10-(3-phenylphenyl)benzo[f]quinoxaline.
What is the SMILES notation for 2-methyl-3-phenyl-10-(3-phenylphenyl)benzo[f]quinoxaline?
The canonical SMILES for 2-methyl-3-phenyl-10-(3-phenylphenyl)benzo[f]quinoxaline is Cc1nc2c(ccc3cccc(-c4cccc(-c5ccccc5)c4)c32)nc1-c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-10-(3-phenylphenyl)benzo[f]quinoxaline?
The InChIKey is HFHURFOVIWWHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2/c1-21-30(24-12-6-3-7-13-24)33-28-19-18-23-14-9-17-27(29(23)31(28)32-21)26-16-8-15-25(20-26)22-10-4-2-5-11-22/h2-20H,1H3.
What are the key properties of 2-methyl-3-phenyl-10-(3-phenylphenyl)benzo[f]quinoxaline?
2-methyl-3-phenyl-10-(3-phenylphenyl)benzo[f]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 2-methyl-3-phenyl-10-(3-phenylphenyl)benzo[f]quinoxaline is sourced from PubChem (CID 158212750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).