2,3-bis(4-phenylphenyl)quinoxaline-6-carboxylate

C33H21N2O2- — CID 4171467

IUPAC2,3-bis(4-phenylphenyl)quinoxaline-6-carboxylate
SMILESO=C([O-])c1ccc2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)nc2c1
InChIInChI=1S/C33H22N2O2/c36-33(37)28-19-20-29-30(21-28)35-32(27-17-13-25(14-18-27)23-9-5-2-6-10-23)31(34-29)26-15-11-24(12-16-26)22-7-3-1-4-8-22/h1-21H,(H,36,37)/p-1
InChIKeyBSXIGUFBRLXXII-UHFFFAOYSA-M
MW477.54 g/mol
LogP6.66
Rot. Bonds5

About 2,3-bis(4-phenylphenyl)quinoxaline-6-carboxylate

2,3-bis(4-phenylphenyl)quinoxaline-6-carboxylate (PubChem CID 4171467) has the molecular formula C33H21N2O2- and a molecular weight of 477.54 g/mol. Its IUPAC name is 2,3-bis(4-phenylphenyl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Name2,3-bis(4-phenylphenyl)quinoxaline-6-carboxylate
PubChem CID4171467
Molecular FormulaC33H21N2O2-
Molecular Weight477.54 g/mol
Exact Mass477.16
IUPAC Name2,3-bis(4-phenylphenyl)quinoxaline-6-carboxylate
SMILESO=C([O-])c1ccc2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)nc2c1
InChIInChI=1S/C33H22N2O2/c36-33(37)28-19-20-29-30(21-28)35-32(27-17-13-25(14-18-27)23-9-5-2-6-10-23)31(34-29)26-15-11-24(12-16-26)22-7-3-1-4-8-22/h1-21H,(H,36,37)/p-1
InChIKeyBSXIGUFBRLXXII-UHFFFAOYSA-M
XLogP6.66
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.54
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid
CID 90115939
N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide
CID 5261928
N-ethyl-2,3-diphenylquinoxaline-6-carboxamide
CID 5261756
2,3-diphenyl-N-propylquinoxaline-6-carboxamide
CID 3107662
2,3-diphenyl-N-pyridin-2-ylquinoxaline-6-carboxamide
CID 1034248
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 156561648
2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylic acid
CID 5127746
4-[3-(4-carbonochloridoylphenyl)quinoxalin-2-yl]benzoyl chloride
CID 86121135
N-(1-naphthalen-1-ylethyl)-2,3-diphenylquinoxaline-6-carboxamide
CID 43853062
N-pentyl-2,3-diphenylquinoxaline-6-carboxamide
CID 43853055
platinum(4+) tetrabenzoate
CID 173022810
methyl 4-[6-[3-(4-ethoxycarbonylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxalin-2-yl]benzoate
CID 89469510

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-phenylphenyl)quinoxaline-6-carboxylate?
The IUPAC name of 2,3-bis(4-phenylphenyl)quinoxaline-6-carboxylate (CID 4171467) is 2,3-bis(4-phenylphenyl)quinoxaline-6-carboxylate.
What is the SMILES notation for 2,3-bis(4-phenylphenyl)quinoxaline-6-carboxylate?
The canonical SMILES for 2,3-bis(4-phenylphenyl)quinoxaline-6-carboxylate is O=C([O-])c1ccc2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)nc2c1.
What is the InChIKey of 2,3-bis(4-phenylphenyl)quinoxaline-6-carboxylate?
The InChIKey is BSXIGUFBRLXXII-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H22N2O2/c36-33(37)28-19-20-29-30(21-28)35-32(27-17-13-25(14-18-27)23-9-5-2-6-10-23)31(34-29)26-15-11-24(12-16-26)22-7-3-1-4-8-22/h1-21H,(H,36,37)/p-1.
What are the key properties of 2,3-bis(4-phenylphenyl)quinoxaline-6-carboxylate?
2,3-bis(4-phenylphenyl)quinoxaline-6-carboxylate has a molecular weight of 477.54 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-phenylphenyl)quinoxaline-6-carboxylate is sourced from PubChem (CID 4171467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).