4-(4-dibenzofuran-3-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine

C48H30N2O — CID 176632469

IUPAC4-(4-dibenzofuran-3-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc(-c3cccc4cccc(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C48H30N2O/c1-3-13-31(14-4-1)36-22-11-17-32-18-12-23-42(47(32)36)44-30-43(49-48(50-44)33-15-5-2-6-16-33)39-28-27-35(37-19-7-8-20-38(37)39)34-25-26-41-40-21-9-10-24-45(40)51-46(41)29-34/h1-30H
InChIKeyNBWWZZDXMJIDCH-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.02
Rot. Bonds5

About 4-(4-dibenzofuran-3-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine

4-(4-dibenzofuran-3-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine (PubChem CID 176632469) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 4-(4-dibenzofuran-3-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(4-dibenzofuran-3-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine
PubChem CID176632469
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name4-(4-dibenzofuran-3-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc(-c3cccc4cccc(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C48H30N2O/c1-3-13-31(14-4-1)36-22-11-17-32-18-12-23-42(47(32)36)44-30-43(49-48(50-44)33-15-5-2-6-16-33)39-28-27-35(37-19-7-8-20-38(37)39)34-25-26-41-40-21-9-10-24-45(40)51-46(41)29-34/h1-30H
InChIKeyNBWWZZDXMJIDCH-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-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171584875
4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632187
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372
2-dibenzofuran-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163496167
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 170213995
2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163440403
4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 159720364
2,4-diphenyl-6-[4-[2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidin-4-yl]naphthalen-1-yl]-1,3,5-triazine
CID 176632630
2-dibenzofuran-3-yl-4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 176765102
2-(4-naphthalen-1-ylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797525
2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146937839
4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 155078757

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-3-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine?
The IUPAC name of 4-(4-dibenzofuran-3-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine (CID 176632469) is 4-(4-dibenzofuran-3-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 4-(4-dibenzofuran-3-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine?
The canonical SMILES for 4-(4-dibenzofuran-3-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)c4ccccc34)cc(-c3cccc4cccc(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 4-(4-dibenzofuran-3-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine?
The InChIKey is NBWWZZDXMJIDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-13-31(14-4-1)36-22-11-17-32-18-12-23-42(47(32)36)44-30-43(49-48(50-44)33-15-5-2-6-16-33)39-28-27-35(37-19-7-8-20-38(37)39)34-25-26-41-40-21-9-10-24-45(40)51-46(41)29-34/h1-30H.
What are the key properties of 4-(4-dibenzofuran-3-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine?
4-(4-dibenzofuran-3-ylnaphthalen-1-yl)-2-phenyl-6-(8-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-3-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 176632469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).