8-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoline;6-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoxaline;7-(4-dibenzofuran-2-ylphenyl)-5-phenyl-1,6-naphthyridine

C109H69N5O3 — CID 159626520

IUPAC8-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoline;6-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoxaline;7-(4-dibenzofuran-2-ylphenyl)-5-phenyl-1,6-naphthyridine
SMILESc1ccc(-c2cc3cccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c3nc2-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc3ncccc23)cc1.c1ccc(-c2nc3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C39H25NO.C38H24N2O.C32H20N2O/c1-3-10-27(11-4-1)34-25-31-14-9-16-32(39(31)40-38(34)29-12-5-2-6-13-29)28-20-18-26(19-21-28)30-22-23-37-35(24-30)33-15-7-8-17-36(33)41-37;1-3-9-27(10-4-1)37-38(28-11-5-2-6-12-28)40-34-24-30(19-21-33(34)39-37)26-17-15-25(16-18-26)29-20-22-36-32(23-29)31-13-7-8-14-35(31)41-36;1-2-7-23(8-3-1)32-26-10-6-18-33-29(26)20-28(34-32)22-14-12-21(13-15-22)24-16-17-31-27(19-24)25-9-4-5-11-30(25)35-31/h1-25H;1-24H;1-20H
InChIKeyMOOIFAWAWRIYQE-UHFFFAOYSA-N
MW1496.78 g/mol
LogP29.53
Rot. Bonds11

About 8-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoline;6-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoxaline;7-(4-dibenzofuran-2-ylphenyl)-5-phenyl-1,6-naphthyridine

8-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoline;6-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoxaline;7-(4-dibenzofuran-2-ylphenyl)-5-phenyl-1,6-naphthyridine (PubChem CID 159626520) has the molecular formula C109H69N5O3 and a molecular weight of 1496.78 g/mol. Its IUPAC name is 8-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoline;6-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoxaline;7-(4-dibenzofuran-2-ylphenyl)-5-phenyl-1,6-naphthyridine.

Molecular Properties

Compound Name8-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoline;6-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoxaline;7-(4-dibenzofuran-2-ylphenyl)-5-phenyl-1,6-naphthyridine
PubChem CID159626520
Molecular FormulaC109H69N5O3
Molecular Weight1496.78 g/mol
Exact Mass1495.54
IUPAC Name8-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoline;6-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoxaline;7-(4-dibenzofuran-2-ylphenyl)-5-phenyl-1,6-naphthyridine
SMILESc1ccc(-c2cc3cccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c3nc2-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc3ncccc23)cc1.c1ccc(-c2nc3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C39H25NO.C38H24N2O.C32H20N2O/c1-3-10-27(11-4-1)34-25-31-14-9-16-32(39(31)40-38(34)29-12-5-2-6-13-29)28-20-18-26(19-21-28)30-22-23-37-35(24-30)33-15-7-8-17-36(33)41-37;1-3-9-27(10-4-1)37-38(28-11-5-2-6-12-28)40-34-24-30(19-21-33(34)39-37)26-17-15-25(16-18-26)29-20-22-36-32(23-29)31-13-7-8-14-35(31)41-36;1-2-7-23(8-3-1)32-26-10-6-18-33-29(26)20-28(34-32)22-14-12-21(13-15-22)24-16-17-31-27(19-24)25-9-4-5-11-30(25)35-31/h1-25H;1-24H;1-20H
InChIKeyMOOIFAWAWRIYQE-UHFFFAOYSA-N
XLogP29.53
TPSA103.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001496.78
LogP ≤ 529.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoline;6-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoxaline;7-(4-dibenzofuran-2-ylphenyl)-5-phenyl-1,6-naphthyridine with MolForge

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Related Compounds

8-(1-benzofuran-5-yl)-1-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[4,5-c]quinoline
CID 137654245
2-(4-Dibenzofuran-4-ylphenyl)-9-(4-fluorophenyl)-1,10-phenanthroline
CID 90049864
2-(3-Dibenzofuran-2-ylphenyl)-9-(4-fluorophenyl)-1,10-phenanthroline
CID 90049865
2-(4-Dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline
CID 90049925
2-(4-Dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline
CID 90049926
2-[3,5-Di(dibenzofuran-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
CID 90049930
2-[3,5-Di(dibenzofuran-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
CID 90049931
3,8-Di(dibenzofuran-2-yl)-5,6-difluoro-1,10-phenanthroline
CID 121460995
3,8-Di(dibenzofuran-4-yl)-5,6-difluoro-1,10-phenanthroline
CID 134167031
2-(4-Dibenzofuran-2-ylphenyl)-9-(4-fluorophenyl)-1,10-phenanthroline
CID 134410342
8-[4-(9-Phenyl-1,10-phenanthrolin-2-yl)phenyl]-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 134411551
3-dibenzofuran-2-yl-8-[8-[4-(8-dibenzofuran-4-yl-5,6-difluoro-10-methyl-9H-1,10-phenanthrolin-3-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]-5,6-difluoro-1,10-phenanthroline
CID 134445878

Frequently Asked Questions

What is the IUPAC name of 8-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoline;6-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoxaline;7-(4-dibenzofuran-2-ylphenyl)-5-phenyl-1,6-naphthyridine?
The IUPAC name of 8-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoline;6-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoxaline;7-(4-dibenzofuran-2-ylphenyl)-5-phenyl-1,6-naphthyridine (CID 159626520) is 8-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoline;6-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoxaline;7-(4-dibenzofuran-2-ylphenyl)-5-phenyl-1,6-naphthyridine.
What is the SMILES notation for 8-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoline;6-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoxaline;7-(4-dibenzofuran-2-ylphenyl)-5-phenyl-1,6-naphthyridine?
The canonical SMILES for 8-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoline;6-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoxaline;7-(4-dibenzofuran-2-ylphenyl)-5-phenyl-1,6-naphthyridine is c1ccc(-c2cc3cccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c3nc2-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc3ncccc23)cc1.c1ccc(-c2nc3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3nc2-c2ccccc2)cc1.
What is the InChIKey of 8-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoline;6-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoxaline;7-(4-dibenzofuran-2-ylphenyl)-5-phenyl-1,6-naphthyridine?
The InChIKey is MOOIFAWAWRIYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25NO.C38H24N2O.C32H20N2O/c1-3-10-27(11-4-1)34-25-31-14-9-16-32(39(31)40-38(34)29-12-5-2-6-13-29)28-20-18-26(19-21-28)30-22-23-37-35(24-30)33-15-7-8-17-36(33)41-37;1-3-9-27(10-4-1)37-38(28-11-5-2-6-12-28)40-34-24-30(19-21-33(34)39-37)26-17-15-25(16-18-26)29-20-22-36-32(23-29)31-13-7-8-14-35(31)41-36;1-2-7-23(8-3-1)32-26-10-6-18-33-29(26)20-28(34-32)22-14-12-21(13-15-22)24-16-17-31-27(19-24)25-9-4-5-11-30(25)35-31/h1-25H;1-24H;1-20H.
What are the key properties of 8-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoline;6-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoxaline;7-(4-dibenzofuran-2-ylphenyl)-5-phenyl-1,6-naphthyridine?
8-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoline;6-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoxaline;7-(4-dibenzofuran-2-ylphenyl)-5-phenyl-1,6-naphthyridine has a molecular weight of 1496.78 g/mol, XLogP of 29.53, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoline;6-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoxaline;7-(4-dibenzofuran-2-ylphenyl)-5-phenyl-1,6-naphthyridine is sourced from PubChem (CID 159626520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).