4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine

C51H31N3O2 — CID 155078280

IUPAC4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)c5c4oc4ccccc45)cc3)nc(-c3ccc(-c4ccncc4)cc3)n2)cc1
InChIInChI=1S/C51H31N3O2/c1-2-9-35(10-3-1)43-31-44(54-51(53-43)37-23-17-32(18-24-37)33-27-29-52-30-28-33)36-21-19-34(20-22-36)38-25-26-40(49-42-12-5-7-15-46(42)56-50(38)49)39-13-8-16-47-48(39)41-11-4-6-14-45(41)55-47/h1-31H
InChIKeyZDRQRMLDTFIBOV-UHFFFAOYSA-N
MW717.83 g/mol
LogP13.67
Rot. Bonds6

About 4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine

4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine (PubChem CID 155078280) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine
PubChem CID155078280
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC Name4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)c5c4oc4ccccc45)cc3)nc(-c3ccc(-c4ccncc4)cc3)n2)cc1
InChIInChI=1S/C51H31N3O2/c1-2-9-35(10-3-1)43-31-44(54-51(53-43)37-23-17-32(18-24-37)33-27-29-52-30-28-33)36-21-19-34(20-22-36)38-25-26-40(49-42-12-5-7-15-46(42)56-50(38)49)39-13-8-16-47-48(39)41-11-4-6-14-45(41)55-47/h1-31H
InChIKeyZDRQRMLDTFIBOV-UHFFFAOYSA-N
XLogP13.67
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 155079316
4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine
CID 155078891
2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 155077740
4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 155078890
2-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078777
2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 160830138
4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine
CID 155078881
4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158177029
4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078124
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 139304376
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121460855
4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078672

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine?
The IUPAC name of 4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine (CID 155078280) is 4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)c5c4oc4ccccc45)cc3)nc(-c3ccc(-c4ccncc4)cc3)n2)cc1.
What is the InChIKey of 4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine?
The InChIKey is ZDRQRMLDTFIBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-2-9-35(10-3-1)43-31-44(54-51(53-43)37-23-17-32(18-24-37)33-27-29-52-30-28-33)36-21-19-34(20-22-36)38-25-26-40(49-42-12-5-7-15-46(42)56-50(38)49)39-13-8-16-47-48(39)41-11-4-6-14-45(41)55-47/h1-31H.
What are the key properties of 4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine?
4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine has a molecular weight of 717.83 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine is sourced from PubChem (CID 155078280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).