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

C39H25N3O — CID 154950185

IUPAC4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccncc3)cc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C39H25N3O/c1-3-10-26(11-4-1)29-22-30(27-18-20-40-21-19-27)24-31(23-29)35-25-36(42-39(41-35)28-12-5-2-6-13-28)34-16-9-15-33-32-14-7-8-17-37(32)43-38(33)34/h1-25H
InChIKeyXVAIRWREJMOEJF-UHFFFAOYSA-N
MW551.65 g/mol
LogP10.11
Rot. Bonds5

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

4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine (PubChem CID 154950185) has the molecular formula C39H25N3O and a molecular weight of 551.65 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine
PubChem CID154950185
Molecular FormulaC39H25N3O
Molecular Weight551.65 g/mol
Exact Mass551.20
IUPAC Name4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccncc3)cc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C39H25N3O/c1-3-10-26(11-4-1)29-22-30(27-18-20-40-21-19-27)24-31(23-29)35-25-36(42-39(41-35)28-12-5-2-6-13-28)34-16-9-15-33-32-14-7-8-17-37(32)43-38(33)34/h1-25H
InChIKeyXVAIRWREJMOEJF-UHFFFAOYSA-N
XLogP10.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine
CID 171583144
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine
CID 171584468
10-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-pyridin-4-ylphenyl]phenoxazine
CID 154950145
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 171584631
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 171585257
5-[3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-5-phenylphenyl]quinoline
CID 154949961
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130261983
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
2-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078777
4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 155078890
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)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine
CID 155078891

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine?
The IUPAC name of 4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine (CID 154950185) is 4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine.
What is the SMILES notation for 4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine?
The canonical SMILES for 4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccncc3)cc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine?
The InChIKey is XVAIRWREJMOEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O/c1-3-10-26(11-4-1)29-22-30(27-18-20-40-21-19-27)24-31(23-29)35-25-36(42-39(41-35)28-12-5-2-6-13-28)34-16-9-15-33-32-14-7-8-17-37(32)43-38(33)34/h1-25H.
What are the key properties of 4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine?
4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine has a molecular weight of 551.65 g/mol, XLogP of 10.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine is sourced from PubChem (CID 154950185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).