7-(4-dibenzofuran-2-ylphenyl)pyrido[2,3-f]quinoxaline

C29H17N3O — CID 118242597

IUPAC7-(4-dibenzofuran-2-ylphenyl)pyrido[2,3-f]quinoxaline
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4ccnc5c4ccc4nccnc45)cc3)cc12
InChIInChI=1S/C29H17N3O/c1-2-4-26-22(3-1)24-17-20(9-12-27(24)33-26)18-5-7-19(8-6-18)21-13-14-31-28-23(21)10-11-25-29(28)32-16-15-30-25/h1-17H
InChIKeyJIAKAPGGEXELLT-UHFFFAOYSA-N
MW423.48 g/mol
LogP7.41
Rot. Bonds2

About 7-(4-dibenzofuran-2-ylphenyl)pyrido[2,3-f]quinoxaline

7-(4-dibenzofuran-2-ylphenyl)pyrido[2,3-f]quinoxaline (PubChem CID 118242597) has the molecular formula C29H17N3O and a molecular weight of 423.48 g/mol. Its IUPAC name is 7-(4-dibenzofuran-2-ylphenyl)pyrido[2,3-f]quinoxaline.

Molecular Properties

Compound Name7-(4-dibenzofuran-2-ylphenyl)pyrido[2,3-f]quinoxaline
PubChem CID118242597
Molecular FormulaC29H17N3O
Molecular Weight423.48 g/mol
Exact Mass423.14
IUPAC Name7-(4-dibenzofuran-2-ylphenyl)pyrido[2,3-f]quinoxaline
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4ccnc5c4ccc4nccnc45)cc3)cc12
InChIInChI=1S/C29H17N3O/c1-2-4-26-22(3-1)24-17-20(9-12-27(24)33-26)18-5-7-19(8-6-18)21-13-14-31-28-23(21)10-11-25-29(28)32-16-15-30-25/h1-17H
InChIKeyJIAKAPGGEXELLT-UHFFFAOYSA-N
XLogP7.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.48
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,7-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline
CID 90050316
10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858645
10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine
CID 88858623
10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858651
2-[4-(4-methylnaphthalen-1-yl)phenyl]dibenzofuran
CID 67964760
11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline
CID 90049940
6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063531
4-[4-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline
CID 130263336
4-[7-(3-dibenzofuran-2-ylphenyl)benzo[b][1,10]phenanthrolin-10-yl]-7-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 165067855
2-(4-dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline
CID 90049925
2-(4-fluoranthen-3-ylphenyl)dibenzofuran
CID 121287650
9-[3-[4,6-bis[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]quinolin-7-yl]phenyl]-3-dibenzofuran-2-ylcarbazole
CID 126632420

Frequently Asked Questions

What is the IUPAC name of 7-(4-dibenzofuran-2-ylphenyl)pyrido[2,3-f]quinoxaline?
The IUPAC name of 7-(4-dibenzofuran-2-ylphenyl)pyrido[2,3-f]quinoxaline (CID 118242597) is 7-(4-dibenzofuran-2-ylphenyl)pyrido[2,3-f]quinoxaline.
What is the SMILES notation for 7-(4-dibenzofuran-2-ylphenyl)pyrido[2,3-f]quinoxaline?
The canonical SMILES for 7-(4-dibenzofuran-2-ylphenyl)pyrido[2,3-f]quinoxaline is c1ccc2c(c1)oc1ccc(-c3ccc(-c4ccnc5c4ccc4nccnc45)cc3)cc12.
What is the InChIKey of 7-(4-dibenzofuran-2-ylphenyl)pyrido[2,3-f]quinoxaline?
The InChIKey is JIAKAPGGEXELLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17N3O/c1-2-4-26-22(3-1)24-17-20(9-12-27(24)33-26)18-5-7-19(8-6-18)21-13-14-31-28-23(21)10-11-25-29(28)32-16-15-30-25/h1-17H.
What are the key properties of 7-(4-dibenzofuran-2-ylphenyl)pyrido[2,3-f]quinoxaline?
7-(4-dibenzofuran-2-ylphenyl)pyrido[2,3-f]quinoxaline has a molecular weight of 423.48 g/mol, XLogP of 7.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-dibenzofuran-2-ylphenyl)pyrido[2,3-f]quinoxaline is sourced from PubChem (CID 118242597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).