2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline

C46H28N2O — CID 134273485

IUPAC2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
SMILESc1cc(-c2ccc3nc4oc5ccc(-c6cccc(-c7cccc8ccccc78)c6)cc5c4nc3c2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C46H28N2O/c1-3-17-37-29(9-1)11-7-19-39(37)35-15-5-13-31(25-35)33-22-24-44-41(27-33)45-46(49-44)48-42-23-21-34(28-43(42)47-45)32-14-6-16-36(26-32)40-20-8-12-30-10-2-4-18-38(30)40/h1-28H
InChIKeySIWMLBXDVPJZPJ-UHFFFAOYSA-N
MW624.74 g/mol
LogP12.50
Rot. Bonds4

About 2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline

2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline (PubChem CID 134273485) has the molecular formula C46H28N2O and a molecular weight of 624.74 g/mol. Its IUPAC name is 2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline.

Molecular Properties

Compound Name2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
PubChem CID134273485
Molecular FormulaC46H28N2O
Molecular Weight624.74 g/mol
Exact Mass624.22
IUPAC Name2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
SMILESc1cc(-c2ccc3nc4oc5ccc(-c6cccc(-c7cccc8ccccc78)c6)cc5c4nc3c2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C46H28N2O/c1-3-17-37-29(9-1)11-7-19-39(37)35-15-5-13-31(25-35)33-22-24-44-41(27-33)45-46(49-44)48-42-23-21-34(28-43(42)47-45)32-14-6-16-36(26-32)40-20-8-12-30-10-2-4-18-38(30)40/h1-28H
InChIKeySIWMLBXDVPJZPJ-UHFFFAOYSA-N
XLogP12.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.74
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,9-bis(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
CID 134273510
2-(3-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline
CID 134273405
2,9-bis[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[2,3-b]quinoxaline
CID 134273503
9-dibenzothiophen-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline
CID 134273478
17-(3-dibenzothiophen-4-ylphenyl)-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20),16,18-decaene
CID 162489714
9-dibenzofuran-2-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline
CID 134273482
2,9-bis(3-benzo[c]carbazol-7-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
CID 134273507
2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline
CID 134273443
2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline;2,9-bis(3-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline;2-dibenzofuran-4-yl-9-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline;9-dibenzofuran-4-yl-2-dibenzothiophen-4-yl-[1]benzofuro[2,3-b]quinoxaline;2,9-di(dibenzofuran-4-yl)-[1]benzofuro[2,3-b]quinoxaline;2,9-di(dibenzothiophen-4-yl)-[1]benzofuro[2,3-b]quinoxaline;2-(3-naphthalen-1-ylphenyl)-9-(4-naphthalen-2-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline;10-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
CID 159783478
10-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
CID 134273471
2-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline;13-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 161309558
17-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20),16,18-decaene;17-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20),16,18-decaene;17-[3-(3-phenanthren-9-ylphenyl)phenyl]-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20),16,18-decaene
CID 163835537

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline?
The IUPAC name of 2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline (CID 134273485) is 2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline.
What is the SMILES notation for 2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline?
The canonical SMILES for 2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline is c1cc(-c2ccc3nc4oc5ccc(-c6cccc(-c7cccc8ccccc78)c6)cc5c4nc3c2)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of 2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline?
The InChIKey is SIWMLBXDVPJZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O/c1-3-17-37-29(9-1)11-7-19-39(37)35-15-5-13-31(25-35)33-22-24-44-41(27-33)45-46(49-44)48-42-23-21-34(28-43(42)47-45)32-14-6-16-36(26-32)40-20-8-12-30-10-2-4-18-38(30)40/h1-28H.
What are the key properties of 2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline?
2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline has a molecular weight of 624.74 g/mol, XLogP of 12.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline is sourced from PubChem (CID 134273485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).