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

C45H27N3O2 — CID 155078891

IUPAC4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5oc6ccccc6c45)c4c3oc3ccccc34)nc(-c3cccc(-c4ccncc4)c3)n2)cc1
InChIInChI=1S/C45H27N3O2/c1-2-10-29(11-3-1)37-27-38(48-45(47-37)31-13-8-12-30(26-31)28-22-24-46-25-23-28)34-21-20-33(43-36-15-5-7-18-40(36)50-44(34)43)32-16-9-19-41-42(32)35-14-4-6-17-39(35)49-41/h1-27H
InChIKeyZSZKXMKZHBFPOM-UHFFFAOYSA-N
MW641.73 g/mol
LogP12.01
Rot. Bonds5

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

4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine (PubChem CID 155078891) has the molecular formula C45H27N3O2 and a molecular weight of 641.73 g/mol. Its IUPAC name is 4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine
PubChem CID155078891
Molecular FormulaC45H27N3O2
Molecular Weight641.73 g/mol
Exact Mass641.21
IUPAC Name4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5oc6ccccc6c45)c4c3oc3ccccc34)nc(-c3cccc(-c4ccncc4)c3)n2)cc1
InChIInChI=1S/C45H27N3O2/c1-2-10-29(11-3-1)37-27-38(48-45(47-37)31-13-8-12-30(26-31)28-22-24-46-25-23-28)34-21-20-33(43-36-15-5-7-18-40(36)50-44(34)43)32-16-9-19-41-42(32)35-14-4-6-17-39(35)49-41/h1-27H
InChIKeyZSZKXMKZHBFPOM-UHFFFAOYSA-N
XLogP12.01
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.73
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 155078890
4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078280
2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 155079316
2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 155077740
4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine
CID 155078881
4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078672
4-(1-dibenzofuran-2-yldibenzofuran-4-yl)-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078324
2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 160830138
4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 155079146
2-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078777
4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155078463
4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine
CID 154950185

Frequently Asked Questions

What is the IUPAC name of 4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine?
The IUPAC name of 4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine (CID 155078891) is 4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine?
The canonical SMILES for 4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc(-c4cccc5oc6ccccc6c45)c4c3oc3ccccc34)nc(-c3cccc(-c4ccncc4)c3)n2)cc1.
What is the InChIKey of 4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine?
The InChIKey is ZSZKXMKZHBFPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O2/c1-2-10-29(11-3-1)37-27-38(48-45(47-37)31-13-8-12-30(26-31)28-22-24-46-25-23-28)34-21-20-33(43-36-15-5-7-18-40(36)50-44(34)43)32-16-9-19-41-42(32)35-14-4-6-17-39(35)49-41/h1-27H.
What are the key properties of 4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine?
4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine has a molecular weight of 641.73 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine is sourced from PubChem (CID 155078891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).