4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine

C59H38N2O — CID 171602845

IUPAC4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)cc(-c3ccccc3-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C59H38N2O/c1-4-18-39(19-5-1)58-60-53(38-54(61-58)47-27-11-10-26-45(47)41-34-35-56-50(37-41)48-28-13-15-33-55(48)62-56)42-21-16-20-40(36-42)46-30-17-32-52-57(46)49-29-12-14-31-51(49)59(52,43-22-6-2-7-23-43)44-24-8-3-9-25-44/h1-38H
InChIKeyGCKOCEZFEMYQQB-UHFFFAOYSA-N
MW790.97 g/mol
LogP15.07
Rot. Bonds7

About 4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine

4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine (PubChem CID 171602845) has the molecular formula C59H38N2O and a molecular weight of 790.97 g/mol. Its IUPAC name is 4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
PubChem CID171602845
Molecular FormulaC59H38N2O
Molecular Weight790.97 g/mol
Exact Mass790.30
IUPAC Name4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)cc(-c3ccccc3-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C59H38N2O/c1-4-18-39(19-5-1)58-60-53(38-54(61-58)47-27-11-10-26-45(47)41-34-35-56-50(37-41)48-28-13-15-33-55(48)62-56)42-21-16-20-40(36-42)46-30-17-32-52-57(46)49-29-12-14-31-51(49)59(52,43-22-6-2-7-23-43)44-24-8-3-9-25-44/h1-38H
InChIKeyGCKOCEZFEMYQQB-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-(3-dibenzofuran-2-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603030
4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171602396
4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603313
4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603052
4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603556
4-(4-dibenzofuran-3-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603135
4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602956
4-[3-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171602100
4-dibenzofuran-2-yl-2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-phenylpyrimidine
CID 168779159
4-dibenzofuran-2-yl-2-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]pyrimidine
CID 171603674
4-(2-dibenzofuran-3-ylphenyl)-6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171601905
4-[3-dibenzofuran-2-yl-5-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171584830

Frequently Asked Questions

What is the IUPAC name of 4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine (CID 171602845) is 4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine is c1ccc(-c2nc(-c3cccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)cc(-c3ccccc3-c3ccc4oc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
The InChIKey is GCKOCEZFEMYQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2O/c1-4-18-39(19-5-1)58-60-53(38-54(61-58)47-27-11-10-26-45(47)41-34-35-56-50(37-41)48-28-13-15-33-55(48)62-56)42-21-16-20-40(36-42)46-30-17-32-52-57(46)49-29-12-14-31-51(49)59(52,43-22-6-2-7-23-43)44-24-8-3-9-25-44/h1-38H.
What are the key properties of 4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
4-(2-dibenzofuran-2-ylphenyl)-6-[3-(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-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 171602845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).