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

C50H30N4O2 — CID 130263182

IUPAC2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccncn4)cc3)nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1
InChIInChI=1S/C50H30N4O2/c1-2-10-31(11-3-1)44-29-45(33-22-20-32(21-23-33)43-24-25-51-30-52-43)54-50(53-44)36-27-34(37-14-8-16-41-39-12-4-6-18-46(39)55-48(37)41)26-35(28-36)38-15-9-17-42-40-13-5-7-19-47(40)56-49(38)42/h1-30H
InChIKeyNZLPYYWPPDMNSO-UHFFFAOYSA-N
MW718.82 g/mol
LogP13.07
Rot. Bonds6

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

2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidine (PubChem CID 130263182) has the molecular formula C50H30N4O2 and a molecular weight of 718.82 g/mol. Its IUPAC name is 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidine
PubChem CID130263182
Molecular FormulaC50H30N4O2
Molecular Weight718.82 g/mol
Exact Mass718.24
IUPAC Name2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccncn4)cc3)nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1
InChIInChI=1S/C50H30N4O2/c1-2-10-31(11-3-1)44-29-45(33-22-20-32(21-23-33)43-24-25-51-30-52-43)54-50(53-44)36-27-34(37-14-8-16-41-39-12-4-6-18-46(39)55-48(37)41)26-35(28-36)38-15-9-17-42-40-13-5-7-19-47(40)56-49(38)42/h1-30H
InChIKeyNZLPYYWPPDMNSO-UHFFFAOYSA-N
XLogP13.07
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.82
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 130262741
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261958
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(10-pyridin-4-ylanthracen-9-yl)pyrimidine
CID 130262121
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130261983
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
4-[3-dibenzofuran-4-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583012
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 159089395
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160739724
4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine
CID 171583144
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154613834

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidine?
The IUPAC name of 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidine (CID 130263182) is 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidine.
What is the SMILES notation for 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidine?
The canonical SMILES for 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc(-c4ccncn4)cc3)nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.
What is the InChIKey of 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidine?
The InChIKey is NZLPYYWPPDMNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O2/c1-2-10-31(11-3-1)44-29-45(33-22-20-32(21-23-33)43-24-25-51-30-52-43)54-50(53-44)36-27-34(37-14-8-16-41-39-12-4-6-18-46(39)55-48(37)41)26-35(28-36)38-15-9-17-42-40-13-5-7-19-47(40)56-49(38)42/h1-30H.
What are the key properties of 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidine?
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidine has a molecular weight of 718.82 g/mol, XLogP of 13.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidine is sourced from PubChem (CID 130263182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).