2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine

C58H34N2O3 — CID 130465872

IUPAC2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C58H34N2O3/c1-2-13-35(14-3-1)36-27-29-37(30-28-36)50-34-51(60-58(59-50)49-23-12-22-48-45-17-6-9-26-54(45)63-57(48)49)40-32-38(41-18-10-20-46-43-15-4-7-24-52(43)61-55(41)46)31-39(33-40)42-19-11-21-47-44-16-5-8-25-53(44)62-56(42)47/h1-34H
InChIKeyIFVUTNGFEMYPKE-UHFFFAOYSA-N
MW806.92 g/mol
LogP16.18
Rot. Bonds6

About 2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine

2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine (PubChem CID 130465872) has the molecular formula C58H34N2O3 and a molecular weight of 806.92 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
PubChem CID130465872
Molecular FormulaC58H34N2O3
Molecular Weight806.92 g/mol
Exact Mass806.26
IUPAC Name2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C58H34N2O3/c1-2-13-35(14-3-1)36-27-29-37(30-28-36)50-34-51(60-58(59-50)49-23-12-22-48-45-17-6-9-26-54(45)63-57(48)49)40-32-38(41-18-10-20-46-43-15-4-7-24-52(43)61-55(41)46)31-39(33-40)42-19-11-21-47-44-16-5-8-25-53(44)62-56(42)47/h1-34H
InChIKeyIFVUTNGFEMYPKE-UHFFFAOYSA-N
XLogP16.18
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.92
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171585380
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
4-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 130465782
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
4-(4-dibenzofuran-1-ylphenyl)-6-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583737
2-dibenzofuran-4-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465875
4-[3-dibenzofuran-4-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583012
2-dibenzofuran-3-yl-4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465665
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160752497
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261958
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 161324987
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 171584631

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine (CID 130465872) is 2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine?
The InChIKey is IFVUTNGFEMYPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2O3/c1-2-13-35(14-3-1)36-27-29-37(30-28-36)50-34-51(60-58(59-50)49-23-12-22-48-45-17-6-9-26-54(45)63-57(48)49)40-32-38(41-18-10-20-46-43-15-4-7-24-52(43)61-55(41)46)31-39(33-40)42-19-11-21-47-44-16-5-8-25-53(44)62-56(42)47/h1-34H.
What are the key properties of 2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine?
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine has a molecular weight of 806.92 g/mol, XLogP of 16.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 130465872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).