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

C50H32N2O — CID 171584288

IUPAC4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccccc4-c4ccc5ccccc5c4)nc(-c4ccccc4)n3)cc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C50H32N2O/c1-3-14-33(15-4-1)38-29-39(42-23-13-24-45-44-22-11-12-25-48(44)53-49(42)45)31-40(30-38)46-32-47(52-50(51-46)35-17-5-2-6-18-35)43-21-10-9-20-41(43)37-27-26-34-16-7-8-19-36(34)28-37/h1-32H
InChIKeyMQBXUGJKAUOQCZ-UHFFFAOYSA-N
MW676.82 g/mol
LogP13.53
Rot. Bonds6

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

4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine (PubChem CID 171584288) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine
PubChem CID171584288
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC Name4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccccc4-c4ccc5ccccc5c4)nc(-c4ccccc4)n3)cc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C50H32N2O/c1-3-14-33(15-4-1)38-29-39(42-23-13-24-45-44-22-11-12-25-48(44)53-49(42)45)31-40(30-38)46-32-47(52-50(51-46)35-17-5-2-6-18-35)43-21-10-9-20-41(43)37-27-26-34-16-7-8-19-36(34)28-37/h1-32H
InChIKeyMQBXUGJKAUOQCZ-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-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583085
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 171583506
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 171584631
4-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine
CID 130465796
4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 121460850
2-dibenzofuran-4-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465875
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 171585257
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 160528168
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
4-dibenzofuran-2-yl-6-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171584969
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 171585514
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine
CID 171585617

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine?
The IUPAC name of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine (CID 171584288) is 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine is c1ccc(-c2cc(-c3cc(-c4ccccc4-c4ccc5ccccc5c4)nc(-c4ccccc4)n3)cc(-c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine?
The InChIKey is MQBXUGJKAUOQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-3-14-33(15-4-1)38-29-39(42-23-13-24-45-44-22-11-12-25-48(44)53-49(42)45)31-40(30-38)46-32-47(52-50(51-46)35-17-5-2-6-18-35)43-21-10-9-20-41(43)37-27-26-34-16-7-8-19-36(34)28-37/h1-32H.
What are the key properties of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine?
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-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-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine is sourced from PubChem (CID 171584288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).