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

C55H38N2O — CID 171584543

IUPAC4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cc(-c6ccccc6)cc(-c6ccc7oc8ccccc8c7c6)c5)n4)cc3)c21
InChIInChI=1S/C55H38N2O/c1-55(2)48-22-11-9-18-44(48)46-21-13-20-43(53(46)55)36-24-26-38(27-25-36)54-56-49(37-16-7-4-8-17-37)34-50(57-54)42-31-40(35-14-5-3-6-15-35)30-41(32-42)39-28-29-52-47(33-39)45-19-10-12-23-51(45)58-52/h3-34H,1-2H3
InChIKeyLLAFSZFZLYOFQL-UHFFFAOYSA-N
MW742.92 g/mol
LogP14.68
Rot. Bonds6

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

4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine (PubChem CID 171584543) has the molecular formula C55H38N2O and a molecular weight of 742.92 g/mol. Its IUPAC name is 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine
PubChem CID171584543
Molecular FormulaC55H38N2O
Molecular Weight742.92 g/mol
Exact Mass742.30
IUPAC Name4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cc(-c6ccccc6)cc(-c6ccc7oc8ccccc8c7c6)c5)n4)cc3)c21
InChIInChI=1S/C55H38N2O/c1-55(2)48-22-11-9-18-44(48)46-21-13-20-43(53(46)55)36-24-26-38(27-25-36)54-56-49(37-16-7-4-8-17-37)34-50(57-54)42-31-40(35-14-5-3-6-15-35)30-41(32-42)39-28-29-52-47(33-39)45-19-10-12-23-51(45)58-52/h3-34H,1-2H3
InChIKeyLLAFSZFZLYOFQL-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)-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine
CID 171584636
4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171582716
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171583039
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584829
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine
CID 171585448
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171583701
4-[3-dibenzofuran-2-yl-5-(2-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171584389
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-phenylpyrimidine
CID 171583538
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 171583328
2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 167344623
4-[4-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 167344597
4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168777430

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine?
The IUPAC name of 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine (CID 171584543) is 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-2-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(-c6ccc7oc8ccccc8c7c6)c5)n4)cc3)c21.
What is the InChIKey of 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine?
The InChIKey is LLAFSZFZLYOFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2O/c1-55(2)48-22-11-9-18-44(48)46-21-13-20-43(53(46)55)36-24-26-38(27-25-36)54-56-49(37-16-7-4-8-17-37)34-50(57-54)42-31-40(35-14-5-3-6-15-35)30-41(32-42)39-28-29-52-47(33-39)45-19-10-12-23-51(45)58-52/h3-34H,1-2H3.
What are the key properties of 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine?
4-(3-dibenzofuran-2-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-2-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine is sourced from PubChem (CID 171584543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).