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

C50H32N2O — CID 171583095

IUPAC4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccccc4)n3)cc(-c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C50H32N2O/c1-3-13-33(14-4-1)38-29-39(43-22-12-24-48-49(43)44-20-9-10-23-47(44)53-48)31-40(30-38)46-32-45(51-50(52-46)37-16-5-2-6-17-37)36-27-25-35(26-28-36)42-21-11-18-34-15-7-8-19-41(34)42/h1-32H
InChIKeyXDQNPUFZSUWXGS-UHFFFAOYSA-N
MW676.82 g/mol
LogP13.53
Rot. Bonds6

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

4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine (PubChem CID 171583095) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
PubChem CID171583095
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC Name4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccccc4)n3)cc(-c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C50H32N2O/c1-3-13-33(14-4-1)38-29-39(43-22-12-24-48-49(43)44-20-9-10-23-47(44)53-48)31-40(30-38)46-32-45(51-50(52-46)37-16-5-2-6-17-37)36-27-25-35(26-28-36)42-21-11-18-34-15-7-8-19-41(34)42/h1-32H
InChIKeyXDQNPUFZSUWXGS-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-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
CID 171585490
4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 171583574
4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171584694
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
4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171584041
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968
4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375
4-(4-dibenzofuran-1-ylphenyl)-6-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583737
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583274
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171584875

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine?
The IUPAC name of 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine (CID 171583095) is 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine is c1ccc(-c2cc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccccc4)n3)cc(-c3cccc4oc5ccccc5c34)c2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine?
The InChIKey is XDQNPUFZSUWXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-3-13-33(14-4-1)38-29-39(43-22-12-24-48-49(43)44-20-9-10-23-47(44)53-48)31-40(30-38)46-32-45(51-50(52-46)37-16-5-2-6-17-37)36-27-25-35(26-28-36)42-21-11-18-34-15-7-8-19-41(34)42/h1-32H.
What are the key properties of 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine?
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine 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-phenylphenyl)-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine is sourced from PubChem (CID 171583095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).