4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine

C59H38N2O — CID 171601858

IUPAC4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)cc3)cc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)n2)cc1
InChIInChI=1S/C59H38N2O/c1-3-15-42(16-4-1)58-60-54(38-55(61-58)44-18-13-17-43(37-44)47-24-14-25-51-50-23-9-12-28-56(50)62-57(47)51)41-31-29-39(30-32-41)40-33-35-46(36-34-40)59(45-19-5-2-6-20-45)52-26-10-7-21-48(52)49-22-8-11-27-53(49)59/h1-38H
InChIKeyWVVGXZJKADWQLG-UHFFFAOYSA-N
MW790.97 g/mol
LogP15.07
Rot. Bonds7

About 4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine

4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine (PubChem CID 171601858) has the molecular formula C59H38N2O and a molecular weight of 790.97 g/mol. Its IUPAC name is 4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
PubChem CID171601858
Molecular FormulaC59H38N2O
Molecular Weight790.97 g/mol
Exact Mass790.30
IUPAC Name4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)cc3)cc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)n2)cc1
InChIInChI=1S/C59H38N2O/c1-3-15-42(16-4-1)58-60-54(38-55(61-58)44-18-13-17-43(37-44)47-24-14-25-51-50-23-9-12-28-56(50)62-57(47)51)41-31-29-39(30-32-41)40-33-35-46(36-34-40)59(45-19-5-2-6-20-45)52-26-10-7-21-48(52)49-22-8-11-27-53(49)59/h1-38H
InChIKeyWVVGXZJKADWQLG-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-4-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603283
4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9,9-diphenylfluoren-3-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171601945
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-diphenylfluoren-3-yl)-2-phenylpyrimidine
CID 171582649
2-(3-dibenzofuran-4-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)pyrimidine
CID 171602818
4-[3-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171601926
4-dibenzofuran-4-yl-6-[3-(9,9-diphenylfluoren-3-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171602202
4-dibenzofuran-4-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603443
4-(4-dibenzofuran-4-ylphenyl)-6-[3-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171601900
4-[3-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171602100
4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602182
4-(2-dibenzofuran-4-ylphenyl)-2-phenyl-6-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603080
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)pyrimidine
CID 171603049

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine?
The IUPAC name of 4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine (CID 171601858) is 4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine is c1ccc(-c2nc(-c3ccc(-c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)cc3)cc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine?
The InChIKey is WVVGXZJKADWQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2O/c1-3-15-42(16-4-1)58-60-54(38-55(61-58)44-18-13-17-43(37-44)47-24-14-25-51-50-23-9-12-28-56(50)62-57(47)51)41-31-29-39(30-32-41)40-33-35-46(36-34-40)59(45-19-5-2-6-20-45)52-26-10-7-21-48(52)49-22-8-11-27-53(49)59/h1-38H.
What are the key properties of 4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine?
4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine 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-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine is sourced from PubChem (CID 171601858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).