4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine

C59H38N2O — CID 171602182

IUPAC4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3ccccc3-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C59H38N2O/c1-4-18-41(19-5-1)58-60-53(40-36-34-39(35-37-40)44-28-16-30-49-47-26-13-15-33-55(47)62-57(44)49)38-54(61-58)46-25-11-10-24-45(46)48-29-17-32-52-56(48)50-27-12-14-31-51(50)59(52,42-20-6-2-7-21-42)43-22-8-3-9-23-43/h1-38H
InChIKeyZCYWEHZFOLHHFK-UHFFFAOYSA-N
MW790.97 g/mol
LogP15.07
Rot. Bonds7

About 4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine

4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine (PubChem CID 171602182) has the molecular formula C59H38N2O and a molecular weight of 790.97 g/mol. Its IUPAC name is 4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
PubChem CID171602182
Molecular FormulaC59H38N2O
Molecular Weight790.97 g/mol
Exact Mass790.30
IUPAC Name4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3ccccc3-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C59H38N2O/c1-4-18-41(19-5-1)58-60-53(40-36-34-39(35-37-40)44-28-16-30-49-47-26-13-15-33-55(47)62-57(44)49)38-54(61-58)46-25-11-10-24-45(46)48-29-17-32-52-56(48)50-27-12-14-31-51(50)59(52,42-20-6-2-7-21-42)43-22-8-3-9-23-43/h1-38H
InChIKeyZCYWEHZFOLHHFK-UHFFFAOYSA-N
XLogP15.07
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 515.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-dibenzofuran-4-yl-2-phenyl-6-(5,9,9-triphenylfluoren-2-yl)pyrimidine
CID 171601946
4-[3-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171602100
4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603283
4-(3-dibenzofuran-2-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603030
4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171601858
4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine
CID 138575105
4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603556
4-(2-dibenzofuran-4-ylphenyl)-2-phenyl-6-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603080
4-dibenzofuran-4-yl-6-[2-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine
CID 171602923
4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9,9-diphenylfluoren-3-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171601945
4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602845
4-[3-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171601926

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine (CID 171602182) is 4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine is c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3ccccc3-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
The InChIKey is ZCYWEHZFOLHHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2O/c1-4-18-41(19-5-1)58-60-53(40-36-34-39(35-37-40)44-28-16-30-49-47-26-13-15-33-55(47)62-57(44)49)38-54(61-58)46-25-11-10-24-45(46)48-29-17-32-52-56(48)50-27-12-14-31-51(50)59(52,42-20-6-2-7-21-42)43-22-8-3-9-23-43/h1-38H.
What are the key properties of 4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine has a molecular weight of 790.97 g/mol, XLogP of 15.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 171602182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).