4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine

C49H31N3O — CID 171585089

IUPAC4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4cccc5ccccc45)c3)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1
InChIInChI=1S/C49H31N3O/c1-2-11-34(12-3-1)45-30-46(52-49(51-45)35-21-19-32(20-22-35)37-14-9-25-50-31-37)40-27-38(26-39(28-40)42-17-8-13-33-10-4-5-15-41(33)42)36-23-24-48-44(29-36)43-16-6-7-18-47(43)53-48/h1-31H
InChIKeyBHWRIQHKBJSVGY-UHFFFAOYSA-N
MW677.81 g/mol
LogP12.93
Rot. Bonds6

About 4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine

4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 171585089) has the molecular formula C49H31N3O and a molecular weight of 677.81 g/mol. Its IUPAC name is 4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
PubChem CID171585089
Molecular FormulaC49H31N3O
Molecular Weight677.81 g/mol
Exact Mass677.25
IUPAC Name4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4cccc5ccccc45)c3)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1
InChIInChI=1S/C49H31N3O/c1-2-11-34(12-3-1)45-30-46(52-49(51-45)35-21-19-32(20-22-35)37-14-9-25-50-31-37)40-27-38(26-39(28-40)42-17-8-13-33-10-4-5-15-41(33)42)36-23-24-48-44(29-36)43-16-6-7-18-47(43)53-48/h1-31H
InChIKeyBHWRIQHKBJSVGY-UHFFFAOYSA-N
XLogP12.93
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 171583291
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130261906
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583274
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171583697
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583329
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 171584662
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262159
4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 159701721
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171584057
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263391
4-(4-dibenzofuran-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130262931
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
CID 171583764

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine (CID 171585089) is 4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4cccc5ccccc45)c3)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is BHWRIQHKBJSVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O/c1-2-11-34(12-3-1)45-30-46(52-49(51-45)35-21-19-32(20-22-35)37-14-9-25-50-31-37)40-27-38(26-39(28-40)42-17-8-13-33-10-4-5-15-41(33)42)36-23-24-48-44(29-36)43-16-6-7-18-47(43)53-48/h1-31H.
What are the key properties of 4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine?
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 677.81 g/mol, XLogP of 12.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 171585089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).