6-[(2,3-diphenylquinoxalin-6-yl)methyl]-2,3-diphenylquinoxaline

C41H28N4 — CID 3106562

IUPAC6-[(2,3-diphenylquinoxalin-6-yl)methyl]-2,3-diphenylquinoxaline
SMILESc1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccccc6)c(-c6ccccc6)nc5c4)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C41H28N4/c1-5-13-30(14-6-1)38-40(32-17-9-3-10-18-32)44-36-26-28(21-23-34(36)42-38)25-29-22-24-35-37(27-29)45-41(33-19-11-4-12-20-33)39(43-35)31-15-7-2-8-16-31/h1-24,26-27H,25H2
InChIKeyPJNBCNKXROVAKU-UHFFFAOYSA-N
MW576.70 g/mol
LogP9.83
Rot. Bonds6

About 6-[(2,3-diphenylquinoxalin-6-yl)methyl]-2,3-diphenylquinoxaline

6-[(2,3-diphenylquinoxalin-6-yl)methyl]-2,3-diphenylquinoxaline (PubChem CID 3106562) has the molecular formula C41H28N4 and a molecular weight of 576.70 g/mol. Its IUPAC name is 6-[(2,3-diphenylquinoxalin-6-yl)methyl]-2,3-diphenylquinoxaline.

Molecular Properties

Compound Name6-[(2,3-diphenylquinoxalin-6-yl)methyl]-2,3-diphenylquinoxaline
PubChem CID3106562
Molecular FormulaC41H28N4
Molecular Weight576.70 g/mol
Exact Mass576.23
IUPAC Name6-[(2,3-diphenylquinoxalin-6-yl)methyl]-2,3-diphenylquinoxaline
SMILESc1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccccc6)c(-c6ccccc6)nc5c4)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C41H28N4/c1-5-13-30(14-6-1)38-40(32-17-9-3-10-18-32)44-36-26-28(21-23-34(36)42-38)25-29-22-24-35-37(27-29)45-41(33-19-11-4-12-20-33)39(43-35)31-15-7-2-8-16-31/h1-24,26-27H,25H2
InChIKeyPJNBCNKXROVAKU-UHFFFAOYSA-N
XLogP9.83
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-diphenylquinoxalin-6-yl)methyl]-2,3-diphenylquinoxaline?
The IUPAC name of 6-[(2,3-diphenylquinoxalin-6-yl)methyl]-2,3-diphenylquinoxaline (CID 3106562) is 6-[(2,3-diphenylquinoxalin-6-yl)methyl]-2,3-diphenylquinoxaline.
What is the SMILES notation for 6-[(2,3-diphenylquinoxalin-6-yl)methyl]-2,3-diphenylquinoxaline?
The canonical SMILES for 6-[(2,3-diphenylquinoxalin-6-yl)methyl]-2,3-diphenylquinoxaline is c1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccccc6)c(-c6ccccc6)nc5c4)cc3nc2-c2ccccc2)cc1.
What is the InChIKey of 6-[(2,3-diphenylquinoxalin-6-yl)methyl]-2,3-diphenylquinoxaline?
The InChIKey is PJNBCNKXROVAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4/c1-5-13-30(14-6-1)38-40(32-17-9-3-10-18-32)44-36-26-28(21-23-34(36)42-38)25-29-22-24-35-37(27-29)45-41(33-19-11-4-12-20-33)39(43-35)31-15-7-2-8-16-31/h1-24,26-27H,25H2.
What are the key properties of 6-[(2,3-diphenylquinoxalin-6-yl)methyl]-2,3-diphenylquinoxaline?
6-[(2,3-diphenylquinoxalin-6-yl)methyl]-2,3-diphenylquinoxaline has a molecular weight of 576.70 g/mol, XLogP of 9.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-diphenylquinoxalin-6-yl)methyl]-2,3-diphenylquinoxaline is sourced from PubChem (CID 3106562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).