4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine

C59H38N2O — CID 171602956

IUPAC4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc(-c3cccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)n2)cc1
InChIInChI=1S/C59H38N2O/c1-4-17-41(18-5-1)58-60-52(40-35-33-39(34-36-40)46-28-16-32-55-57(46)49-26-11-13-31-54(49)62-55)38-53(61-58)43-20-14-19-42(37-43)47-27-15-30-51-56(47)48-25-10-12-29-50(48)59(51,44-21-6-2-7-22-44)45-23-8-3-9-24-45/h1-38H
InChIKeyNZHIMRQWLYBEOX-UHFFFAOYSA-N
MW790.97 g/mol
LogP15.07
Rot. Bonds7

About 4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine

4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine (PubChem CID 171602956) has the molecular formula C59H38N2O and a molecular weight of 790.97 g/mol. Its IUPAC name is 4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
PubChem CID171602956
Molecular FormulaC59H38N2O
Molecular Weight790.97 g/mol
Exact Mass790.30
IUPAC Name4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc(-c3cccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)n2)cc1
InChIInChI=1S/C59H38N2O/c1-4-17-41(18-5-1)58-60-52(40-35-33-39(34-36-40)46-28-16-32-55-57(46)49-26-11-13-31-54(49)62-55)38-53(61-58)43-20-14-19-42(37-43)47-27-15-30-51-56(47)48-25-10-12-29-50(48)59(51,44-21-6-2-7-22-44)45-23-8-3-9-24-45/h1-38H
InChIKeyNZHIMRQWLYBEOX-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-(4-dibenzofuran-3-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603135
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648601
4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602845
4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171602396
4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171602598
4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603313
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 171584248
2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002837
4-(3-dibenzofuran-2-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603030
2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153368921
2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166002825

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine (CID 171602956) is 4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine is c1ccc(-c2nc(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)cc(-c3cccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)n2)cc1.
What is the InChIKey of 4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
The InChIKey is NZHIMRQWLYBEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2O/c1-4-17-41(18-5-1)58-60-52(40-35-33-39(34-36-40)46-28-16-32-55-57(46)49-26-11-13-31-54(49)62-55)38-53(61-58)43-20-14-19-42(37-43)47-27-15-30-51-56(47)48-25-10-12-29-50(48)59(51,44-21-6-2-7-22-44)45-23-8-3-9-24-45/h1-38H.
What are the key properties of 4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
4-(4-dibenzofuran-1-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-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 171602956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).