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

C55H33N3O2 — CID 130261906

IUPAC4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine
SMILESc1cncc(-c2cccc(-c3nc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)cc(-c4cccc5ccccc45)n3)c2)c1
InChIInChI=1S/C55H33N3O2/c1-2-15-43-34(10-1)11-8-18-44(43)50-32-49(57-55(58-50)38-13-7-12-35(26-38)39-14-9-25-56-33-39)42-28-40(36-21-23-53-47(30-36)45-16-3-5-19-51(45)59-53)27-41(29-42)37-22-24-54-48(31-37)46-17-4-6-20-52(46)60-54/h1-33H
InChIKeyKIIBQWCJEYYREG-UHFFFAOYSA-N
MW767.89 g/mol
LogP14.83
Rot. Bonds6

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

4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine (PubChem CID 130261906) has the molecular formula C55H33N3O2 and a molecular weight of 767.89 g/mol. Its IUPAC name is 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine
PubChem CID130261906
Molecular FormulaC55H33N3O2
Molecular Weight767.89 g/mol
Exact Mass767.26
IUPAC Name4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine
SMILESc1cncc(-c2cccc(-c3nc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)cc(-c4cccc5ccccc45)n3)c2)c1
InChIInChI=1S/C55H33N3O2/c1-2-15-43-34(10-1)11-8-18-44(43)50-32-49(57-55(58-50)38-13-7-12-35(26-38)39-14-9-25-56-33-39)42-28-40(36-21-23-53-47(30-36)45-16-3-5-19-51(45)59-53)27-41(29-42)37-22-24-54-48(31-37)46-17-4-6-20-52(46)60-54/h1-33H
InChIKeyKIIBQWCJEYYREG-UHFFFAOYSA-N
XLogP14.83
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.89
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 171585089
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
CID 171583764
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262159
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-naphthalen-1-ylphenyl)-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 171583291
4-(4-dibenzofuran-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130262931
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583329
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263391
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(2-methylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262706
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583274
4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
CID 150536017
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171584057

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine (CID 130261906) is 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine is c1cncc(-c2cccc(-c3nc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)cc(-c4cccc5ccccc45)n3)c2)c1.
What is the InChIKey of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is KIIBQWCJEYYREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O2/c1-2-15-43-34(10-1)11-8-18-44(43)50-32-49(57-55(58-50)38-13-7-12-35(26-38)39-14-9-25-56-33-39)42-28-40(36-21-23-53-47(30-36)45-16-3-5-19-51(45)59-53)27-41(29-42)37-22-24-54-48(31-37)46-17-4-6-20-52(46)60-54/h1-33H.
What are the key properties of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine?
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 767.89 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 130261906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).