4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine

C52H32N2O2 — CID 155079146

IUPAC4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6c5oc5ccccc56)c5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C52H32N2O2/c1-4-15-33(16-5-1)36-29-37(34-17-6-2-7-18-34)31-38(30-36)52-53-45(35-19-8-3-9-20-35)32-46(54-52)43-28-27-40(49-44-22-11-13-26-48(44)56-51(43)49)42-24-14-23-41-39-21-10-12-25-47(39)55-50(41)42/h1-32H
InChIKeyVNBGRDZSDUFOET-UHFFFAOYSA-N
MW716.84 g/mol
LogP14.28
Rot. Bonds6

About 4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine

4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine (PubChem CID 155079146) has the molecular formula C52H32N2O2 and a molecular weight of 716.84 g/mol. Its IUPAC name is 4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
PubChem CID155079146
Molecular FormulaC52H32N2O2
Molecular Weight716.84 g/mol
Exact Mass716.25
IUPAC Name4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6c5oc5ccccc56)c5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C52H32N2O2/c1-4-15-33(16-5-1)36-29-37(34-17-6-2-7-18-34)31-38(30-36)52-53-45(35-19-8-3-9-20-35)32-46(54-52)43-28-27-40(49-44-22-11-13-26-48(44)56-51(43)49)42-24-14-23-41-39-21-10-12-25-47(39)55-50(41)42/h1-32H
InChIKeyVNBGRDZSDUFOET-UHFFFAOYSA-N
XLogP14.28
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 161381922
4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158177029
2-(1-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 157084130
2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 155077744
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine
CID 155078891
2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 155077740
5-[4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 155078142
2-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078777
2-(1-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 155079153
2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine;2-[4-[4-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4-[3-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-2,6-diphenylpyrimidine;2-[3-[2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158395903
4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine
CID 154950185

Frequently Asked Questions

What is the IUPAC name of 4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine?
The IUPAC name of 4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine (CID 155079146) is 4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine.
What is the SMILES notation for 4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine?
The canonical SMILES for 4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6c5oc5ccccc56)c5c4oc4ccccc45)n3)c2)cc1.
What is the InChIKey of 4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine?
The InChIKey is VNBGRDZSDUFOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O2/c1-4-15-33(16-5-1)36-29-37(34-17-6-2-7-18-34)31-38(30-36)52-53-45(35-19-8-3-9-20-35)32-46(54-52)43-28-27-40(49-44-22-11-13-26-48(44)56-51(43)49)42-24-14-23-41-39-21-10-12-25-47(39)55-50(41)42/h1-32H.
What are the key properties of 4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine?
4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine has a molecular weight of 716.84 g/mol, XLogP of 14.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine is sourced from PubChem (CID 155079146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).