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

C34H20N2O — CID 134273405

IUPAC2-(3-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline
SMILESc1cc(-c2ccc3oc4nc5ccccc5nc4c3c2)cc(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C34H20N2O/c1-2-11-25-24(8-1)20-28(27-13-4-3-12-26(25)27)23-10-7-9-21(18-23)22-16-17-32-29(19-22)33-34(37-32)36-31-15-6-5-14-30(31)35-33/h1-20H
InChIKeyCRUZKAQPLLRZOH-UHFFFAOYSA-N
MW472.55 g/mol
LogP9.17
Rot. Bonds2

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

2-(3-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline (PubChem CID 134273405) has the molecular formula C34H20N2O and a molecular weight of 472.55 g/mol. Its IUPAC name is 2-(3-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline.

Molecular Properties

Compound Name2-(3-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline
PubChem CID134273405
Molecular FormulaC34H20N2O
Molecular Weight472.55 g/mol
Exact Mass472.16
IUPAC Name2-(3-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline
SMILESc1cc(-c2ccc3oc4nc5ccccc5nc4c3c2)cc(-c2cc3ccccc3c3ccccc23)c1
InChIInChI=1S/C34H20N2O/c1-2-11-25-24(8-1)20-28(27-13-4-3-12-26(25)27)23-10-7-9-21(18-23)22-16-17-32-29(19-22)33-34(37-32)36-31-15-6-5-14-30(31)35-33/h1-20H
InChIKeyCRUZKAQPLLRZOH-UHFFFAOYSA-N
XLogP9.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,9-bis(3-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
CID 134273485
2,9-bis(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
CID 134273510
10-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-b]quinoxaline
CID 134273471
2-[3-(6-phenyldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoxaline
CID 134273443
2-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline
CID 134273458
2,9-bis[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[2,3-b]quinoxaline
CID 134273503
2-(3-dibenzofuran-2-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline;2-(3-dibenzofuran-3-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline;2-(3-dibenzothiophen-2-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline;2-(3-dibenzothiophen-3-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline;2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-[1]benzofuro[3,2-b]quinoxaline;2-[3-(3-dibenzothiophen-3-ylphenyl)phenyl]-[1]benzofuro[3,2-b]quinoxaline;2-(3-naphtho[1,2-b][1]benzothiol-5-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline
CID 158560598
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
2-(6-phenanthren-9-ylnaphthalen-2-yl)-8-phenyldibenzofuran
CID 58569217
2-(11-phenylbenzo[a]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoxaline
CID 134273433
4-[4-[4-([1]benzofuro[3,2-b]quinoxalin-2-yl)phenyl]phenyl]benzonitrile;deuterium monohydride
CID 163589433
2-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-(3-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 159104776

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline?
The IUPAC name of 2-(3-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline (CID 134273405) is 2-(3-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline.
What is the SMILES notation for 2-(3-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline?
The canonical SMILES for 2-(3-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline is c1cc(-c2ccc3oc4nc5ccccc5nc4c3c2)cc(-c2cc3ccccc3c3ccccc23)c1.
What is the InChIKey of 2-(3-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline?
The InChIKey is CRUZKAQPLLRZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2O/c1-2-11-25-24(8-1)20-28(27-13-4-3-12-26(25)27)23-10-7-9-21(18-23)22-16-17-32-29(19-22)33-34(37-32)36-31-15-6-5-14-30(31)35-33/h1-20H.
What are the key properties of 2-(3-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline?
2-(3-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline has a molecular weight of 472.55 g/mol, XLogP of 9.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]quinoxaline is sourced from PubChem (CID 134273405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).