2-[4-(2-methylbutan-2-yl)phenyl]-3-phenylquinoxaline

C25H24N2 — CID 142492990

IUPAC2-[4-(2-methylbutan-2-yl)phenyl]-3-phenylquinoxaline
SMILESCCC(C)(C)c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C25H24N2/c1-4-25(2,3)20-16-14-19(15-17-20)24-23(18-10-6-5-7-11-18)26-21-12-8-9-13-22(21)27-24/h5-17H,4H2,1-3H3
InChIKeyHGCOKVYNRYRAID-UHFFFAOYSA-N
MW352.48 g/mol
LogP6.65
Rot. Bonds4

About 2-[4-(2-methylbutan-2-yl)phenyl]-3-phenylquinoxaline

2-[4-(2-methylbutan-2-yl)phenyl]-3-phenylquinoxaline (PubChem CID 142492990) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[4-(2-methylbutan-2-yl)phenyl]-3-phenylquinoxaline.

Molecular Properties

Compound Name2-[4-(2-methylbutan-2-yl)phenyl]-3-phenylquinoxaline
PubChem CID142492990
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name2-[4-(2-methylbutan-2-yl)phenyl]-3-phenylquinoxaline
SMILESCCC(C)(C)c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C25H24N2/c1-4-25(2,3)20-16-14-19(15-17-20)24-23(18-10-6-5-7-11-18)26-21-12-8-9-13-22(21)27-24/h5-17H,4H2,1-3H3
InChIKeyHGCOKVYNRYRAID-UHFFFAOYSA-N
XLogP6.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylbutan-2-yl)phenyl]-3-phenylquinoxaline?
The IUPAC name of 2-[4-(2-methylbutan-2-yl)phenyl]-3-phenylquinoxaline (CID 142492990) is 2-[4-(2-methylbutan-2-yl)phenyl]-3-phenylquinoxaline.
What is the SMILES notation for 2-[4-(2-methylbutan-2-yl)phenyl]-3-phenylquinoxaline?
The canonical SMILES for 2-[4-(2-methylbutan-2-yl)phenyl]-3-phenylquinoxaline is CCC(C)(C)c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1.
What is the InChIKey of 2-[4-(2-methylbutan-2-yl)phenyl]-3-phenylquinoxaline?
The InChIKey is HGCOKVYNRYRAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2/c1-4-25(2,3)20-16-14-19(15-17-20)24-23(18-10-6-5-7-11-18)26-21-12-8-9-13-22(21)27-24/h5-17H,4H2,1-3H3.
What are the key properties of 2-[4-(2-methylbutan-2-yl)phenyl]-3-phenylquinoxaline?
2-[4-(2-methylbutan-2-yl)phenyl]-3-phenylquinoxaline has a molecular weight of 352.48 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylbutan-2-yl)phenyl]-3-phenylquinoxaline is sourced from PubChem (CID 142492990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).