4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine

C50H32N2O — CID 171584694

IUPAC4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4cccc5ccccc45)cc(-c4cccc5oc6ccccc6c45)c3)nc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C50H32N2O/c1-3-15-33(16-4-1)40-22-9-10-23-43(40)50-51-45(35-18-5-2-6-19-35)32-46(52-50)38-30-36(41-25-13-20-34-17-7-8-21-39(34)41)29-37(31-38)42-26-14-28-48-49(42)44-24-11-12-27-47(44)53-48/h1-32H
InChIKeyHUAQYLBJVPXPFC-UHFFFAOYSA-N
MW676.82 g/mol
LogP13.53
Rot. Bonds6

About 4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine

4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine (PubChem CID 171584694) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is 4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
PubChem CID171584694
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC Name4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4cccc5ccccc45)cc(-c4cccc5oc6ccccc6c45)c3)nc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/C50H32N2O/c1-3-15-33(16-4-1)40-22-9-10-23-43(40)50-51-45(35-18-5-2-6-19-35)32-46(52-50)38-30-36(41-25-13-20-34-17-7-8-21-39(34)41)29-37(31-38)42-26-14-28-48-49(42)44-24-11-12-27-47(44)53-48/h1-32H
InChIKeyHUAQYLBJVPXPFC-UHFFFAOYSA-N
XLogP13.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 171583095
4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 171583574
2-[2-[3-(4-dibenzofuran-1-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 174268136
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
CID 171585490
2-[3,5-di(dibenzofuran-1-yl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942695
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375
2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164942447
2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731767
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidine
CID 157238960
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 139304376
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121460855

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine?
The IUPAC name of 4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine (CID 171584694) is 4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine is c1ccc(-c2cc(-c3cc(-c4cccc5ccccc45)cc(-c4cccc5oc6ccccc6c45)c3)nc(-c3ccccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine?
The InChIKey is HUAQYLBJVPXPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-3-15-33(16-4-1)40-22-9-10-23-43(40)50-51-45(35-18-5-2-6-19-35)32-46(52-50)38-30-36(41-25-13-20-34-17-7-8-21-39(34)41)29-37(31-38)42-26-14-28-48-49(42)44-24-11-12-27-47(44)53-48/h1-32H.
What are the key properties of 4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine?
4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine has a molecular weight of 676.82 g/mol, XLogP of 13.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine is sourced from PubChem (CID 171584694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).