4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine

C33H20BrN3O — CID 150536017

IUPAC4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
SMILESBrc1cc(-c2cccnc2)cc(-c2cc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C33H20BrN3O/c34-26-16-24(23-9-6-14-35-20-23)15-25(17-26)30-19-29(36-33(37-30)21-7-2-1-3-8-21)22-12-13-32-28(18-22)27-10-4-5-11-31(27)38-32/h1-20H
InChIKeyIEVZYUIQUKOHCR-UHFFFAOYSA-N
MW554.45 g/mol
LogP9.20
Rot. Bonds4

About 4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine

4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine (PubChem CID 150536017) has the molecular formula C33H20BrN3O and a molecular weight of 554.45 g/mol. Its IUPAC name is 4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
PubChem CID150536017
Molecular FormulaC33H20BrN3O
Molecular Weight554.45 g/mol
Exact Mass553.08
IUPAC Name4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
SMILESBrc1cc(-c2cccnc2)cc(-c2cc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C33H20BrN3O/c34-26-16-24(23-9-6-14-35-20-23)15-25(17-26)30-19-29(36-33(37-30)21-7-2-1-3-8-21)22-12-13-32-28(18-22)27-10-4-5-11-31(27)38-32/h1-20H
InChIKeyIEVZYUIQUKOHCR-UHFFFAOYSA-N
XLogP9.20
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.45
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-5-pyridin-3-ylphenyl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 150429828
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171583697
4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
CID 147753692
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262159
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263391
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 171585089
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130261906
4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine
CID 154949936
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 130262793
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 171582598
4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine
CID 149414750

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine?
The IUPAC name of 4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine (CID 150536017) is 4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine?
The canonical SMILES for 4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine is Brc1cc(-c2cccnc2)cc(-c2cc(-c3ccc4oc5ccccc5c4c3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine?
The InChIKey is IEVZYUIQUKOHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20BrN3O/c34-26-16-24(23-9-6-14-35-20-23)15-25(17-26)30-19-29(36-33(37-30)21-7-2-1-3-8-21)22-12-13-32-28(18-22)27-10-4-5-11-31(27)38-32/h1-20H.
What are the key properties of 4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine?
4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine has a molecular weight of 554.45 g/mol, XLogP of 9.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine is sourced from PubChem (CID 150536017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).