6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-4-phenyl-[1]benzofuro[2,3-c]quinoline

C55H33N3O2 — CID 157187607

IUPAC6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-4-phenyl-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4nc5c(-c6ccccc6)cccc5c5c4oc4ccccc45)cc3)cc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)n2)cc1
InChIInChI=1S/C55H33N3O2/c1-3-14-34(15-4-1)40-22-12-25-45-50-44-21-8-10-27-49(44)60-54(50)51(58-52(40)45)36-30-28-35(29-31-36)46-33-47(57-55(56-46)37-16-5-2-6-17-37)39-19-11-18-38(32-39)41-23-13-24-43-42-20-7-9-26-48(42)59-53(41)43/h1-33H
InChIKeySQZWUYNKFKDWRB-UHFFFAOYSA-N
MW767.89 g/mol
LogP14.83
Rot. Bonds6

About 6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-4-phenyl-[1]benzofuro[2,3-c]quinoline

6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-4-phenyl-[1]benzofuro[2,3-c]quinoline (PubChem CID 157187607) has the molecular formula C55H33N3O2 and a molecular weight of 767.89 g/mol. Its IUPAC name is 6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-4-phenyl-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-4-phenyl-[1]benzofuro[2,3-c]quinoline
PubChem CID157187607
Molecular FormulaC55H33N3O2
Molecular Weight767.89 g/mol
Exact Mass767.26
IUPAC Name6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-4-phenyl-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4nc5c(-c6ccccc6)cccc5c5c4oc4ccccc45)cc3)cc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)n2)cc1
InChIInChI=1S/C55H33N3O2/c1-3-14-34(15-4-1)40-22-12-25-45-50-44-21-8-10-27-49(44)60-54(50)51(58-52(40)45)36-30-28-35(29-31-36)46-33-47(57-55(56-46)37-16-5-2-6-17-37)39-19-11-18-38(32-39)41-23-13-24-43-42-20-7-9-26-48(42)59-53(41)43/h1-33H
InChIKeySQZWUYNKFKDWRB-UHFFFAOYSA-N
XLogP14.83
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.89
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
CID 148953478
4-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-6-naphthalen-2-yl-[1]benzofuro[2,3-c]quinoline
CID 162455079
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154613834
4-(4-dibenzofuran-1-ylphenyl)-6-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583737
2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 159915324
4-(2,6-diphenylpyrimidin-4-yl)-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158448378
4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158177029
6-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline
CID 160531838
4-(2,6-diphenylpyrimidin-4-yl)-6-(4-naphthalen-1-ylphenyl)-[1]benzofuro[3,2-c]quinoline
CID 158431383
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
6-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 163447676

Frequently Asked Questions

What is the IUPAC name of 6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-4-phenyl-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-4-phenyl-[1]benzofuro[2,3-c]quinoline (CID 157187607) is 6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-4-phenyl-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-4-phenyl-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-4-phenyl-[1]benzofuro[2,3-c]quinoline is c1ccc(-c2nc(-c3ccc(-c4nc5c(-c6ccccc6)cccc5c5c4oc4ccccc45)cc3)cc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.
What is the InChIKey of 6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-4-phenyl-[1]benzofuro[2,3-c]quinoline?
The InChIKey is SQZWUYNKFKDWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O2/c1-3-14-34(15-4-1)40-22-12-25-45-50-44-21-8-10-27-49(44)60-54(50)51(58-52(40)45)36-30-28-35(29-31-36)46-33-47(57-55(56-46)37-16-5-2-6-17-37)39-19-11-18-38(32-39)41-23-13-24-43-42-20-7-9-26-48(42)59-53(41)43/h1-33H.
What are the key properties of 6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-4-phenyl-[1]benzofuro[2,3-c]quinoline?
6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-4-phenyl-[1]benzofuro[2,3-c]quinoline has a molecular weight of 767.89 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[6-(3-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-4-phenyl-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 157187607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).