4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine

C45H29N3O — CID 171585346

IUPAC4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine
SMILESc1ccc(-c2nc(-c3cccnc3)cc(-c3cc(-c4ccccc4-c4ccccc4)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1
InChIInChI=1S/C45H29N3O/c1-3-13-30(14-4-1)36-18-7-8-19-37(36)33-25-34(38-21-11-22-40-39-20-9-10-23-43(39)49-44(38)40)27-35(26-33)42-28-41(32-17-12-24-46-29-32)47-45(48-42)31-15-5-2-6-16-31/h1-29H
InChIKeyOLXFKXKLWRZBLW-UHFFFAOYSA-N
MW627.75 g/mol
LogP11.77
Rot. Bonds6

About 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine

4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine (PubChem CID 171585346) has the molecular formula C45H29N3O and a molecular weight of 627.75 g/mol. Its IUPAC name is 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine
PubChem CID171585346
Molecular FormulaC45H29N3O
Molecular Weight627.75 g/mol
Exact Mass627.23
IUPAC Name4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine
SMILESc1ccc(-c2nc(-c3cccnc3)cc(-c3cc(-c4ccccc4-c4ccccc4)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1
InChIInChI=1S/C45H29N3O/c1-3-13-30(14-4-1)36-18-7-8-19-37(36)33-25-34(38-21-11-22-40-39-20-9-10-23-43(39)49-44(38)40)27-35(26-33)42-28-41(32-17-12-24-46-29-32)47-45(48-42)31-15-5-2-6-16-31/h1-29H
InChIKeyOLXFKXKLWRZBLW-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

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Related Compounds

4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171584057
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 171584662
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-(2-dibenzofuran-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583012
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 171584631
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine
CID 171584468
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 171585257
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171585380
4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine
CID 158686254

Frequently Asked Questions

What is the IUPAC name of 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine?
The IUPAC name of 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine (CID 171585346) is 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine is c1ccc(-c2nc(-c3cccnc3)cc(-c3cc(-c4ccccc4-c4ccccc4)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.
What is the InChIKey of 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine?
The InChIKey is OLXFKXKLWRZBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O/c1-3-13-30(14-4-1)36-18-7-8-19-37(36)33-25-34(38-21-11-22-40-39-20-9-10-23-43(39)49-44(38)40)27-35(26-33)42-28-41(32-17-12-24-46-29-32)47-45(48-42)31-15-5-2-6-16-31/h1-29H.
What are the key properties of 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine?
4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine 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-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine is sourced from PubChem (CID 171585346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).