4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine

C48H30N2O — CID 176632459

IUPAC4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3cccc4c(-c5ccccc5)cccc34)cc(-c3ccc(-c4cccc5c4oc4ccccc45)c4ccccc34)n2)cc1
InChIInChI=1S/C48H30N2O/c1-3-14-31(15-4-1)33-21-11-23-37-34(33)22-12-24-39(37)44-30-45(50-48(49-44)32-16-5-2-6-17-32)40-29-28-38(35-18-7-8-19-36(35)40)42-25-13-26-43-41-20-9-10-27-46(41)51-47(42)43/h1-30H
InChIKeyCSCSRZMWVDJXGE-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.02
Rot. Bonds5

About 4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine

4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine (PubChem CID 176632459) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
PubChem CID176632459
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3cccc4c(-c5ccccc5)cccc34)cc(-c3ccc(-c4cccc5c4oc4ccccc45)c4ccccc34)n2)cc1
InChIInChI=1S/C48H30N2O/c1-3-14-31(15-4-1)33-21-11-23-37-34(33)22-12-24-39(37)44-30-45(50-48(49-44)32-16-5-2-6-17-32)40-29-28-38(35-18-7-8-19-36(35)40)42-25-13-26-43-41-20-9-10-27-46(41)51-47(42)43/h1-30H
InChIKeyCSCSRZMWVDJXGE-UHFFFAOYSA-N
XLogP13.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 171585257
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632187
2-dibenzofuran-4-yl-4-phenyl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 155481121
4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine
CID 167349491
4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 161381922
4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158177029
5-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]-[1]benzofuro[3,2-c]isoquinoline
CID 163538420
4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenanthren-9-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-2-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)pyrimidine;4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159168891
4-dibenzofuran-4-yl-6-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168776863
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine?
The IUPAC name of 4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine (CID 176632459) is 4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine?
The canonical SMILES for 4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine is c1ccc(-c2nc(-c3cccc4c(-c5ccccc5)cccc34)cc(-c3ccc(-c4cccc5c4oc4ccccc45)c4ccccc34)n2)cc1.
What is the InChIKey of 4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine?
The InChIKey is CSCSRZMWVDJXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-14-31(15-4-1)33-21-11-23-37-34(33)22-12-24-39(37)44-30-45(50-48(49-44)32-16-5-2-6-17-32)40-29-28-38(35-18-7-8-19-36(35)40)42-25-13-26-43-41-20-9-10-27-46(41)51-47(42)43/h1-30H.
What are the key properties of 4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine?
4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine has a molecular weight of 650.78 g/mol, XLogP of 13.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 176632459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).