4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine

C40H26N2O — CID 146183135

IUPAC4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)cc(-c3cc4ccccc4o3)n2)cc1
InChIInChI=1S/C40H26N2O/c1-2-11-27(12-3-1)34-17-7-8-18-35(34)40-41-36(26-37(42-40)39-25-31-14-5-9-20-38(31)43-39)30-23-21-29(22-24-30)33-19-10-15-28-13-4-6-16-32(28)33/h1-26H
InChIKeyCZGUHTVQQMOPFG-UHFFFAOYSA-N
MW550.66 g/mol
LogP10.71
Rot. Bonds5

About 4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine

4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine (PubChem CID 146183135) has the molecular formula C40H26N2O and a molecular weight of 550.66 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine
PubChem CID146183135
Molecular FormulaC40H26N2O
Molecular Weight550.66 g/mol
Exact Mass550.20
IUPAC Name4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)cc(-c3cc4ccccc4o3)n2)cc1
InChIInChI=1S/C40H26N2O/c1-2-11-27(12-3-1)34-17-7-8-18-35(34)40-41-36(26-37(42-40)39-25-31-14-5-9-20-38(31)43-39)30-23-21-29(22-24-30)33-19-10-15-28-13-4-6-16-32(28)33/h1-26H
InChIKeyCZGUHTVQQMOPFG-UHFFFAOYSA-N
XLogP10.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.66
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-benzofuran-2-yl)-2-dibenzofuran-3-yl-6-(4-naphthalen-1-ylphenyl)pyrimidine
CID 149203141
4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171584694
2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
CID 129265535
9-[2-[4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)pyrimidin-2-yl]phenyl]carbazole;9-[2-[4-(1-benzofuran-2-yl)-6-(6-phenylnaphthalen-2-yl)pyrimidin-2-yl]phenyl]carbazole;9-[4-[4-(1-benzofuran-2-yl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole
CID 162161429
2-[4-(1-benzofuran-2-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146183190
2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran
CID 143851022
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130260993
2-[2-[3-(4-dibenzofuran-1-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 174268136
2-[2,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 123288806
2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170398919

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine?
The IUPAC name of 4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine (CID 146183135) is 4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine is c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)cc(-c3cc4ccccc4o3)n2)cc1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine?
The InChIKey is CZGUHTVQQMOPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2O/c1-2-11-27(12-3-1)34-17-7-8-18-35(34)40-41-36(26-37(42-40)39-25-31-14-5-9-20-38(31)43-39)30-23-21-29(22-24-30)33-19-10-15-28-13-4-6-16-32(28)33/h1-26H.
What are the key properties of 4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine?
4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine has a molecular weight of 550.66 g/mol, XLogP of 10.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 146183135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).