2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline

C40H24N4O — CID 3123808

IUPAC2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc3oc4ccc(-c5nc6ccccc6nc5-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C40H24N4O/c1-3-11-25(12-4-1)37-39(43-33-17-9-7-15-31(33)41-37)27-19-21-35-29(23-27)30-24-28(20-22-36(30)45-35)40-38(26-13-5-2-6-14-26)42-32-16-8-10-18-34(32)44-40/h1-24H
InChIKeyOZLKPVUANSDFGH-UHFFFAOYSA-N
MW576.66 g/mol
LogP10.14
Rot. Bonds4

About 2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline

2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline (PubChem CID 3123808) has the molecular formula C40H24N4O and a molecular weight of 576.66 g/mol. Its IUPAC name is 2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline.

Molecular Properties

Compound Name2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline
PubChem CID3123808
Molecular FormulaC40H24N4O
Molecular Weight576.66 g/mol
Exact Mass576.20
IUPAC Name2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc3oc4ccc(-c5nc6ccccc6nc5-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C40H24N4O/c1-3-11-25(12-4-1)37-39(43-33-17-9-7-15-31(33)41-37)27-19-21-35-29(23-27)30-24-28(20-22-36(30)45-35)40-38(26-13-5-2-6-14-26)42-32-16-8-10-18-34(32)44-40/h1-24H
InChIKeyOZLKPVUANSDFGH-UHFFFAOYSA-N
XLogP10.14
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.66
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-3-phenylquinoxaline
CID 176817926
2-[8-(7,8-dihydronaphthalen-2-yl)dibenzofuran-3-yl]-3-phenylquinoxaline
CID 167403149
2-naphthalen-2-yl-3-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinoxaline
CID 176817614
N-naphthalen-2-yl-N-(3-phenylphenyl)-8-(3-phenylquinoxalin-2-yl)dibenzofuran-3-amine
CID 176818100
2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline
CID 168746371
2-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1,3,5,7,9,11,13,15,17,19,21-undecaen-12-yl)-3-phenylquinoxaline
CID 171044112
4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile
CID 156509421
2-phenyl-3-(3-phenylphenyl)quinoxaline
CID 175058958
2-dibenzotellurophen-2-yl-3-phenylquinoxaline
CID 168739989
6-dibenzofuran-2-yl-[1]benzothiolo[2,3-c]quinoline
CID 171407347
2-(1-benzofuran-2-yl)-3-phenylquinoxaline
CID 20787617
2-(23-oxahexacyclo[18.2.1.05,22.06,15.08,13.016,21]tricosa-1,3,5(22),6,8,10,12,14,16(21),17,19-undecaen-3-yl)-3-phenylquinoxaline
CID 171044322

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline?
The IUPAC name of 2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline (CID 3123808) is 2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline.
What is the SMILES notation for 2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline?
The canonical SMILES for 2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline is c1ccc(-c2nc3ccccc3nc2-c2ccc3oc4ccc(-c5nc6ccccc6nc5-c5ccccc5)cc4c3c2)cc1.
What is the InChIKey of 2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline?
The InChIKey is OZLKPVUANSDFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O/c1-3-11-25(12-4-1)37-39(43-33-17-9-7-15-31(33)41-37)27-19-21-35-29(23-27)30-24-28(20-22-36(30)45-35)40-38(26-13-5-2-6-14-26)42-32-16-8-10-18-34(32)44-40/h1-24H.
What are the key properties of 2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline?
2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline has a molecular weight of 576.66 g/mol, XLogP of 10.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline is sourced from PubChem (CID 3123808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).