4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine

C45H29N3O — CID 130262345

IUPAC4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)nc(-c4ccccc4-c4cccnc4)n3)cc2)cc1
InChIInChI=1S/C45H29N3O/c1-2-9-30(10-3-1)31-16-20-33(21-17-31)41-28-42(48-45(47-41)39-14-5-4-12-37(39)36-11-8-26-46-29-36)34-22-18-32(19-23-34)35-24-25-44-40(27-35)38-13-6-7-15-43(38)49-44/h1-29H
InChIKeyDKWKNBVVHCHTTK-UHFFFAOYSA-N
MW627.75 g/mol
LogP11.77
Rot. Bonds6

About 4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine

4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine (PubChem CID 130262345) has the molecular formula C45H29N3O and a molecular weight of 627.75 g/mol. Its IUPAC name is 4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
PubChem CID130262345
Molecular FormulaC45H29N3O
Molecular Weight627.75 g/mol
Exact Mass627.23
IUPAC Name4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)nc(-c4ccccc4-c4cccnc4)n3)cc2)cc1
InChIInChI=1S/C45H29N3O/c1-2-9-30(10-3-1)31-16-20-33(21-17-31)41-28-42(48-45(47-41)39-14-5-4-12-37(39)36-11-8-26-46-29-36)34-22-18-32(19-23-34)35-24-25-44-40(27-35)38-13-6-7-15-43(38)49-44/h1-29H
InChIKeyDKWKNBVVHCHTTK-UHFFFAOYSA-N
XLogP11.77
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-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-(2-pyridin-3-ylphenyl)pyrimidine
CID 171583291
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262159
4-[3,5-bis(naphtho[2,3-b][1]benzofuran-2-yl)phenyl]-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130263153
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)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 171585089
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171583697
4-(4-dibenzofuran-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130262931
4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 155077820
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-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130261906
2-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942624
2-[4-(4-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 155077884

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine (CID 130262345) is 4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)nc(-c4ccccc4-c4cccnc4)n3)cc2)cc1.
What is the InChIKey of 4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is DKWKNBVVHCHTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O/c1-2-9-30(10-3-1)31-16-20-33(21-17-31)41-28-42(48-45(47-41)39-14-5-4-12-37(39)36-11-8-26-46-29-36)34-22-18-32(19-23-34)35-24-25-44-40(27-35)38-13-6-7-15-43(38)49-44/h1-29H.
What are the key properties of 4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine?
4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 627.75 g/mol, XLogP of 11.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 130262345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).