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

C48H30N2O — CID 176632187

IUPAC4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3cccc4c(-c5ccccc5)cccc34)cc(-c3ccc(-c4cccc5oc6ccccc6c45)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)43-30-44(50-48(49-43)32-16-5-2-6-17-32)40-29-28-38(35-18-7-8-19-36(35)40)41-25-13-27-46-47(41)42-20-9-10-26-45(42)51-46/h1-30H
InChIKeyRMBHDOYSALXQTH-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.02
Rot. Bonds5

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

4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine (PubChem CID 176632187) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
PubChem CID176632187
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3cccc4c(-c5ccccc5)cccc34)cc(-c3ccc(-c4cccc5oc6ccccc6c45)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)43-30-44(50-48(49-43)32-16-5-2-6-17-32)40-29-28-38(35-18-7-8-19-36(35)40)41-25-13-27-46-47(41)42-20-9-10-26-45(42)51-46/h1-30H
InChIKeyRMBHDOYSALXQTH-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-(4-dibenzofuran-4-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632459
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121460855
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 139304376
2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 135233850
4-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-2,6-diphenylpyrimidine
CID 146396702
2-dibenzofuran-1-yl-4-phenyl-6-[5-(9-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731902
2-dibenzofuran-1-yl-4-phenyl-6-[8-(4-phenylnaphthalen-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 176766284
4-(4-dibenzofuran-3-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine
CID 176632469
2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 160830138
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine?
The IUPAC name of 4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine (CID 176632187) is 4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine?
The canonical SMILES for 4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine is c1ccc(-c2nc(-c3cccc4c(-c5ccccc5)cccc34)cc(-c3ccc(-c4cccc5oc6ccccc6c45)c4ccccc34)n2)cc1.
What is the InChIKey of 4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine?
The InChIKey is RMBHDOYSALXQTH-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)43-30-44(50-48(49-43)32-16-5-2-6-17-32)40-29-28-38(35-18-7-8-19-36(35)40)41-25-13-27-46-47(41)42-20-9-10-26-45(42)51-46/h1-30H.
What are the key properties of 4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine?
4-(4-dibenzofuran-1-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-1-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 176632187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).