2-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine

C51H31N3O2 — CID 155077884

IUPAC2-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5oc6ccccc6c45)cc3)n2)cc1
InChIInChI=1S/C51H31N3O2/c1-2-9-34(10-3-1)44-30-45(35-20-16-32(17-21-35)38-11-8-28-52-31-38)54-51(53-44)36-22-18-33(19-23-36)39-25-26-40(50-49(39)42-13-5-7-15-47(42)56-50)37-24-27-48-43(29-37)41-12-4-6-14-46(41)55-48/h1-31H
InChIKeyXAZRQIIJKSUWCK-UHFFFAOYSA-N
MW717.83 g/mol
LogP13.67
Rot. Bonds6

About 2-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine

2-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 155077884) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 2-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
PubChem CID155077884
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC Name2-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5oc6ccccc6c45)cc3)n2)cc1
InChIInChI=1S/C51H31N3O2/c1-2-9-34(10-3-1)44-30-45(35-20-16-32(17-21-35)38-11-8-28-52-31-38)54-51(53-44)36-22-18-33(19-23-36)39-25-26-40(50-49(39)42-13-5-7-15-47(42)56-50)37-24-27-48-43(29-37)41-12-4-6-14-46(41)55-48/h1-31H
InChIKeyXAZRQIIJKSUWCK-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

4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 155077820
4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 155077831
4-(1-dibenzofuran-2-yldibenzofuran-4-yl)-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078324
2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine
CID 155077751
2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155077939
4-[4-(4-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155078092
4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155077872
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171583697
2-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155077854
2-dibenzofuran-3-yl-4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-pyridin-3-yl-1,3,5-triazine
CID 155077776
4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 155079275
2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155078403

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 2-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine (CID 155077884) is 2-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 2-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 2-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)c5oc6ccccc6c45)cc3)n2)cc1.
What is the InChIKey of 2-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is XAZRQIIJKSUWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-2-9-34(10-3-1)44-30-45(35-20-16-32(17-21-35)38-11-8-28-52-31-38)54-51(53-44)36-22-18-33(19-23-36)39-25-26-40(50-49(39)42-13-5-7-15-47(42)56-50)37-24-27-48-43(29-37)41-12-4-6-14-46(41)55-48/h1-31H.
What are the key properties of 2-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine?
2-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-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 2-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 155077884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).