4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine

C51H33N3O — CID 171583144

IUPAC4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3cc(-c4ccccc4-c4ccccc4)cc(-c4cccc5c4oc4ccccc45)c3)cc(-c3ccccc3-c3ccncc3)n2)cc1
InChIInChI=1S/C51H33N3O/c1-3-14-34(15-4-1)40-18-7-8-20-42(40)37-30-38(43-23-13-24-46-45-22-11-12-25-49(45)55-50(43)46)32-39(31-37)47-33-48(54-51(53-47)36-16-5-2-6-17-36)44-21-10-9-19-41(44)35-26-28-52-29-27-35/h1-33H
InChIKeyUDDWOTWLTKNFHJ-UHFFFAOYSA-N
MW703.85 g/mol
LogP13.44
Rot. Bonds7

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

4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine (PubChem CID 171583144) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine
PubChem CID171583144
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3cc(-c4ccccc4-c4ccccc4)cc(-c4cccc5c4oc4ccccc45)c3)cc(-c3ccccc3-c3ccncc3)n2)cc1
InChIInChI=1S/C51H33N3O/c1-3-14-34(15-4-1)40-18-7-8-20-42(40)37-30-38(43-23-13-24-46-45-22-11-12-25-49(45)55-50(43)46)32-39(31-37)47-33-48(54-51(53-47)36-16-5-2-6-17-36)44-21-10-9-19-41(44)35-26-28-52-29-27-35/h1-33H
InChIKeyUDDWOTWLTKNFHJ-UHFFFAOYSA-N
XLogP13.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine
CID 171584468
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 171584631
4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine
CID 154950185
4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine
CID 171585346
4-[3-dibenzofuran-4-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583012
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 171585257
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130261983
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 171584288
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
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872

Frequently Asked Questions

What is the IUPAC name of 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine?
The IUPAC name of 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine (CID 171583144) is 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine.
What is the SMILES notation for 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine?
The canonical SMILES for 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3cc(-c4ccccc4-c4ccccc4)cc(-c4cccc5c4oc4ccccc45)c3)cc(-c3ccccc3-c3ccncc3)n2)cc1.
What is the InChIKey of 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine?
The InChIKey is UDDWOTWLTKNFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-3-14-34(15-4-1)40-18-7-8-20-42(40)37-30-38(43-23-13-24-46-45-22-11-12-25-49(45)55-50(43)46)32-39(31-37)47-33-48(54-51(53-47)36-16-5-2-6-17-36)44-21-10-9-19-41(44)35-26-28-52-29-27-35/h1-33H.
What are the key properties of 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine?
4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine has a molecular weight of 703.85 g/mol, XLogP of 13.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine is sourced from PubChem (CID 171583144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).