2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine

C58H36N2O2 — CID 171585319

IUPAC2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5cccc6c5oc5ccccc56)c4)n3)cc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C58H36N2O2/c1-4-16-37(17-5-1)40-30-42(46-24-14-26-50-48-22-10-12-28-54(48)61-56(46)50)34-44(32-40)53-36-52(39-20-8-3-9-21-39)59-58(60-53)45-33-41(38-18-6-2-7-19-38)31-43(35-45)47-25-15-27-51-49-23-11-13-29-55(49)62-57(47)51/h1-36H
InChIKeyXQMXPPFDLVXIMV-UHFFFAOYSA-N
MW792.94 g/mol
LogP15.94
Rot. Bonds7

About 2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine

2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine (PubChem CID 171585319) has the molecular formula C58H36N2O2 and a molecular weight of 792.94 g/mol. Its IUPAC name is 2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
PubChem CID171585319
Molecular FormulaC58H36N2O2
Molecular Weight792.94 g/mol
Exact Mass792.28
IUPAC Name2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5cccc6c5oc5ccccc56)c4)n3)cc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C58H36N2O2/c1-4-16-37(17-5-1)40-30-42(46-24-14-26-50-48-22-10-12-28-54(48)61-56(46)50)34-44(32-40)53-36-52(39-20-8-3-9-21-39)59-58(60-53)45-33-41(38-18-6-2-7-19-38)31-43(35-45)47-25-15-27-51-49-23-11-13-29-55(49)62-57(47)51/h1-36H
InChIKeyXQMXPPFDLVXIMV-UHFFFAOYSA-N
XLogP15.94
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.94
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171585380
4-[3-dibenzofuran-4-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583012
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 159089395
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160739724
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 161324987
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160752497
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 171584631
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 171585257
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 158944867
4-(4-dibenzofuran-1-ylphenyl)-6-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583737
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583085

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine?
The IUPAC name of 2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine (CID 171585319) is 2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine.
What is the SMILES notation for 2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine?
The canonical SMILES for 2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine is c1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5cccc6c5oc5ccccc56)c4)n3)cc(-c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine?
The InChIKey is XQMXPPFDLVXIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O2/c1-4-16-37(17-5-1)40-30-42(46-24-14-26-50-48-22-10-12-28-54(48)61-56(46)50)34-44(32-40)53-36-52(39-20-8-3-9-21-39)59-58(60-53)45-33-41(38-18-6-2-7-19-38)31-43(35-45)47-25-15-27-51-49-23-11-13-29-55(49)62-57(47)51/h1-36H.
What are the key properties of 2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine?
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine has a molecular weight of 792.94 g/mol, XLogP of 15.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine is sourced from PubChem (CID 171585319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).