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

C51H31N3O2 — CID 155077948

IUPAC2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccccn3)nc(-c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)c5oc6ccccc6c45)cc3)n2)cc1
InChIInChI=1S/C51H31N3O2/c1-2-13-33(14-3-1)43-31-44(37-16-5-4-15-36(37)42-20-10-11-30-52-42)54-51(53-43)34-26-24-32(25-27-34)35-28-29-39(50-49(35)41-18-7-9-22-46(41)56-50)38-19-12-23-47-48(38)40-17-6-8-21-45(40)55-47/h1-31H
InChIKeyXMQIDDCKORDZKP-UHFFFAOYSA-N
MW717.83 g/mol
LogP13.67
Rot. Bonds6

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

2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine (PubChem CID 155077948) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
PubChem CID155077948
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC Name2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccccn3)nc(-c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)c5oc6ccccc6c45)cc3)n2)cc1
InChIInChI=1S/C51H31N3O2/c1-2-13-33(14-3-1)43-31-44(37-16-5-4-15-36(37)42-20-10-11-30-52-42)54-51(53-43)34-26-24-32(25-27-34)35-28-29-39(50-49(35)41-18-7-9-22-46(41)56-50)38-19-12-23-47-48(38)40-17-6-8-21-45(40)55-47/h1-31H
InChIKeyXMQIDDCKORDZKP-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-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine
CID 159763916
4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 155079198
4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine
CID 155077900
4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155077872
5-[4-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 155077896
2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155079373
4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 155079072
4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155077815
2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 158190451
2-(1-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 155079153
2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155079454
4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155079053

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine?
The IUPAC name of 2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine (CID 155077948) is 2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine.
What is the SMILES notation for 2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine?
The canonical SMILES for 2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccccc3-c3ccccn3)nc(-c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)c5oc6ccccc6c45)cc3)n2)cc1.
What is the InChIKey of 2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine?
The InChIKey is XMQIDDCKORDZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-2-13-33(14-3-1)43-31-44(37-16-5-4-15-36(37)42-20-10-11-30-52-42)54-51(53-43)34-26-24-32(25-27-34)35-28-29-39(50-49(35)41-18-7-9-22-46(41)56-50)38-19-12-23-47-48(38)40-17-6-8-21-45(40)55-47/h1-31H.
What are the key properties of 2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine?
2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-2-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-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 155077948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).