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

C51H33N3O — CID 171582598

IUPAC4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4cc(-c5cccc(-c6ccncc6)c5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C51H33N3O/c1-3-11-34(12-4-1)37-15-9-17-39(27-37)42-29-43(40-21-22-50-46(32-40)45-19-7-8-20-49(45)55-50)31-44(30-42)48-33-47(53-51(54-48)36-13-5-2-6-14-36)41-18-10-16-38(28-41)35-23-25-52-26-24-35/h1-33H
InChIKeyNTWRDCVTKGLAIA-UHFFFAOYSA-N
MW703.85 g/mol
LogP13.44
Rot. Bonds7

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

4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine (PubChem CID 171582598) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
PubChem CID171582598
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4cc(-c5cccc(-c6ccncc6)c5)nc(-c5ccccc5)n4)c3)c2)cc1
InChIInChI=1S/C51H33N3O/c1-3-11-34(12-4-1)37-15-9-17-39(27-37)42-29-43(40-21-22-50-46(32-40)45-19-7-8-20-49(45)55-50)31-44(30-42)48-33-47(53-51(54-48)36-13-5-2-6-14-36)41-18-10-16-38(28-41)35-23-25-52-26-24-35/h1-33H
InChIKeyNTWRDCVTKGLAIA-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-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 130262793
4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine
CID 154949936
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160871906
4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171583600
4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171583697
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-phenyl-6-(6-phenylnaphthalen-2-yl)pyrimidine
CID 171583494
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
4-[3-[3-[3-dibenzofuran-2-yl-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 155116790
2-[3-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine
CID 130262571
4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 159186789
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 169280081

Frequently Asked Questions

What is the IUPAC name of 4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine?
The IUPAC name of 4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine (CID 171582598) is 4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine.
What is the SMILES notation for 4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine?
The canonical SMILES for 4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine is c1ccc(-c2cccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4cc(-c5cccc(-c6ccncc6)c5)nc(-c5ccccc5)n4)c3)c2)cc1.
What is the InChIKey of 4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine?
The InChIKey is NTWRDCVTKGLAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-3-11-34(12-4-1)37-15-9-17-39(27-37)42-29-43(40-21-22-50-46(32-40)45-19-7-8-20-49(45)55-50)31-44(30-42)48-33-47(53-51(54-48)36-13-5-2-6-14-36)41-18-10-16-38(28-41)35-23-25-52-26-24-35/h1-33H.
What are the key properties of 4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine?
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-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-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine is sourced from PubChem (CID 171582598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).