4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine

C52H32N2O2 — CID 139304966

IUPAC4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)n3)cc2)cc1
InChIInChI=1S/C52H32N2O2/c1-2-11-33(12-3-1)34-23-29-37(30-24-34)52-53-44(36-27-25-35(26-28-36)40-17-9-21-48-50(40)42-15-4-6-19-46(42)55-48)32-45(54-52)39-14-8-13-38(31-39)41-18-10-22-49-51(41)43-16-5-7-20-47(43)56-49/h1-32H
InChIKeyFVEQUPONCCHILN-UHFFFAOYSA-N
MW716.84 g/mol
LogP14.28
Rot. Bonds6

About 4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine

4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine (PubChem CID 139304966) has the molecular formula C52H32N2O2 and a molecular weight of 716.84 g/mol. Its IUPAC name is 4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
PubChem CID139304966
Molecular FormulaC52H32N2O2
Molecular Weight716.84 g/mol
Exact Mass716.25
IUPAC Name4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)n3)cc2)cc1
InChIInChI=1S/C52H32N2O2/c1-2-11-33(12-3-1)34-23-29-37(30-24-34)52-53-44(36-27-25-35(26-28-36)40-17-9-21-48-50(40)42-15-4-6-19-46(42)55-48)32-45(54-52)39-14-8-13-38(31-39)41-18-10-22-49-51(41)43-16-5-7-20-47(43)56-49/h1-32H
InChIKeyFVEQUPONCCHILN-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-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121460855
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 139304376
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidine
CID 157238960
4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 171583095
4-(4-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine
CID 121460844
4-(4-dibenzofuran-1-ylphenyl)-6-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583737
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine (CID 139304966) is 4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)n3)cc2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine?
The InChIKey is FVEQUPONCCHILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O2/c1-2-11-33(12-3-1)34-23-29-37(30-24-34)52-53-44(36-27-25-35(26-28-36)40-17-9-21-48-50(40)42-15-4-6-19-46(42)55-48)32-45(54-52)39-14-8-13-38(31-39)41-18-10-22-49-51(41)43-16-5-7-20-47(43)56-49/h1-32H.
What are the key properties of 4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine?
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine 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-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 139304966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).