1-(3,6-diphenylquinoxalin-2-yl)-3,3,4,4-tetraphenylpyrrolidine-2,5-dione

C48H33N3O2 — CID 177144993

IUPAC1-(3,6-diphenylquinoxalin-2-yl)-3,3,4,4-tetraphenylpyrrolidine-2,5-dione
SMILESO=C1N(c2nc3ccc(-c4ccccc4)cc3nc2-c2ccccc2)C(=O)C(c2ccccc2)(c2ccccc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H33N3O2/c52-45-47(37-23-11-3-12-24-37,38-25-13-4-14-26-38)48(39-27-15-5-16-28-39,40-29-17-6-18-30-40)46(53)51(45)44-43(35-21-9-2-10-22-35)49-42-33-36(31-32-41(42)50-44)34-19-7-1-8-20-34/h1-33H
InChIKeyQLSCJFHAMHIRNN-UHFFFAOYSA-N
MW683.81 g/mol
LogP9.81
Rot. Bonds7

About 1-(3,6-diphenylquinoxalin-2-yl)-3,3,4,4-tetraphenylpyrrolidine-2,5-dione

1-(3,6-diphenylquinoxalin-2-yl)-3,3,4,4-tetraphenylpyrrolidine-2,5-dione (PubChem CID 177144993) has the molecular formula C48H33N3O2 and a molecular weight of 683.81 g/mol. Its IUPAC name is 1-(3,6-diphenylquinoxalin-2-yl)-3,3,4,4-tetraphenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,6-diphenylquinoxalin-2-yl)-3,3,4,4-tetraphenylpyrrolidine-2,5-dione
PubChem CID177144993
Molecular FormulaC48H33N3O2
Molecular Weight683.81 g/mol
Exact Mass683.26
IUPAC Name1-(3,6-diphenylquinoxalin-2-yl)-3,3,4,4-tetraphenylpyrrolidine-2,5-dione
SMILESO=C1N(c2nc3ccc(-c4ccccc4)cc3nc2-c2ccccc2)C(=O)C(c2ccccc2)(c2ccccc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H33N3O2/c52-45-47(37-23-11-3-12-24-37,38-25-13-4-14-26-38)48(39-27-15-5-16-28-39,40-29-17-6-18-30-40)46(53)51(45)44-43(35-21-9-2-10-22-35)49-42-33-36(31-32-41(42)50-44)34-19-7-1-8-20-34/h1-33H
InChIKeyQLSCJFHAMHIRNN-UHFFFAOYSA-N
XLogP9.81
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.81
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-diphenylquinoxalin-2-yl)-3,3,4,4-tetraphenylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3,6-diphenylquinoxalin-2-yl)-3,3,4,4-tetraphenylpyrrolidine-2,5-dione (CID 177144993) is 1-(3,6-diphenylquinoxalin-2-yl)-3,3,4,4-tetraphenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,6-diphenylquinoxalin-2-yl)-3,3,4,4-tetraphenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,6-diphenylquinoxalin-2-yl)-3,3,4,4-tetraphenylpyrrolidine-2,5-dione is O=C1N(c2nc3ccc(-c4ccccc4)cc3nc2-c2ccccc2)C(=O)C(c2ccccc2)(c2ccccc2)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(3,6-diphenylquinoxalin-2-yl)-3,3,4,4-tetraphenylpyrrolidine-2,5-dione?
The InChIKey is QLSCJFHAMHIRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O2/c52-45-47(37-23-11-3-12-24-37,38-25-13-4-14-26-38)48(39-27-15-5-16-28-39,40-29-17-6-18-30-40)46(53)51(45)44-43(35-21-9-2-10-22-35)49-42-33-36(31-32-41(42)50-44)34-19-7-1-8-20-34/h1-33H.
What are the key properties of 1-(3,6-diphenylquinoxalin-2-yl)-3,3,4,4-tetraphenylpyrrolidine-2,5-dione?
1-(3,6-diphenylquinoxalin-2-yl)-3,3,4,4-tetraphenylpyrrolidine-2,5-dione has a molecular weight of 683.81 g/mol, XLogP of 9.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-diphenylquinoxalin-2-yl)-3,3,4,4-tetraphenylpyrrolidine-2,5-dione is sourced from PubChem (CID 177144993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).