4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine

C55H38N2O — CID 171585448

IUPAC4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cc(-c6ccccc6)cc(-c6cccc7c6oc6ccccc67)c5)n4)cc3)c21
InChIInChI=1S/C55H38N2O/c1-55(2)48-25-11-9-19-44(48)46-23-13-21-42(52(46)55)36-27-29-38(30-28-36)54-56-49(37-17-7-4-8-18-37)34-50(57-54)41-32-39(35-15-5-3-6-16-35)31-40(33-41)43-22-14-24-47-45-20-10-12-26-51(45)58-53(43)47/h3-34H,1-2H3
InChIKeyWBRUUVZHIACALV-UHFFFAOYSA-N
MW742.92 g/mol
LogP14.68
Rot. Bonds6

About 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine

4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine (PubChem CID 171585448) has the molecular formula C55H38N2O and a molecular weight of 742.92 g/mol. Its IUPAC name is 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine
PubChem CID171585448
Molecular FormulaC55H38N2O
Molecular Weight742.92 g/mol
Exact Mass742.30
IUPAC Name4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cc(-c6ccccc6)cc(-c6cccc7c6oc6ccccc67)c5)n4)cc3)c21
InChIInChI=1S/C55H38N2O/c1-55(2)48-25-11-9-19-44(48)46-23-13-21-42(52(46)55)36-27-29-38(30-28-36)54-56-49(37-17-7-4-8-18-37)34-50(57-54)41-32-39(35-15-5-3-6-16-35)31-40(33-41)43-22-14-24-47-45-20-10-12-26-51(45)58-53(43)47/h3-34H,1-2H3
InChIKeyWBRUUVZHIACALV-UHFFFAOYSA-N
XLogP14.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.92
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine
CID 171584543
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585086
4-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584080
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 160795004
4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-1-yl)phenyl]-2-phenylpyrimidine
CID 171603888
4-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171582882
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine
CID 171584636
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171585452
4-(4-dibenzofuran-4-ylphenyl)-6-[3-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171601900
4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 159545616
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine?
The IUPAC name of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine (CID 171585448) is 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine is CC1(C)c2ccccc2-c2cccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cc(-c6ccccc6)cc(-c6cccc7c6oc6ccccc67)c5)n4)cc3)c21.
What is the InChIKey of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine?
The InChIKey is WBRUUVZHIACALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2O/c1-55(2)48-25-11-9-19-44(48)46-23-13-21-42(52(46)55)36-27-29-38(30-28-36)54-56-49(37-17-7-4-8-18-37)34-50(57-54)41-32-39(35-15-5-3-6-16-35)31-40(33-41)43-22-14-24-47-45-20-10-12-26-51(45)58-53(43)47/h3-34H,1-2H3.
What are the key properties of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine?
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine has a molecular weight of 742.92 g/mol, XLogP of 14.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine is sourced from PubChem (CID 171585448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).