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

C55H38N2O — CID 171582716

IUPAC4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)ccc21
InChIInChI=1S/C55H38N2O/c1-55(2)48-22-11-9-20-44(48)46-32-39(24-26-49(46)55)37-18-13-19-38(28-37)41-29-42(40-25-27-53-47(33-40)45-21-10-12-23-52(45)58-53)31-43(30-41)51-34-50(35-14-5-3-6-15-35)56-54(57-51)36-16-7-4-8-17-36/h3-34H,1-2H3
InChIKeyCOWBHCWZVNQWMW-UHFFFAOYSA-N
MW742.92 g/mol
LogP14.68
Rot. Bonds6

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

4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine (PubChem CID 171582716) has the molecular formula C55H38N2O and a molecular weight of 742.92 g/mol. Its IUPAC name is 4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
PubChem CID171582716
Molecular FormulaC55H38N2O
Molecular Weight742.92 g/mol
Exact Mass742.30
IUPAC Name4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)ccc21
InChIInChI=1S/C55H38N2O/c1-55(2)48-22-11-9-20-44(48)46-32-39(24-26-49(46)55)37-18-13-19-38(28-37)41-29-42(40-25-27-53-47(33-40)45-21-10-12-23-52(45)58-53)31-43(30-41)51-34-50(35-14-5-3-6-15-35)56-54(57-51)36-16-7-4-8-17-36/h3-34H,1-2H3
InChIKeyCOWBHCWZVNQWMW-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-(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-dibenzofuran-3-yl-6-[3-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 154950195
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-dibenzofuran-2-yl-6-[3-(9,9-dimethylfluoren-3-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-2-phenylpyrimidine
CID 154950154
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenylpyrimidine
CID 171584543
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 171583328
4-dibenzofuran-2-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168777430
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine
CID 171584636
4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171582676
4-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-2,6-diphenylpyrimidine
CID 154602384

Frequently Asked Questions

What is the IUPAC name of 4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine (CID 171582716) is 4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine is CC1(C)c2ccccc2-c2cc(-c3cccc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)ccc21.
What is the InChIKey of 4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine?
The InChIKey is COWBHCWZVNQWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2O/c1-55(2)48-22-11-9-20-44(48)46-32-39(24-26-49(46)55)37-18-13-19-38(28-37)41-29-42(40-25-27-53-47(33-40)45-21-10-12-23-52(45)58-53)31-43(30-41)51-34-50(35-14-5-3-6-15-35)56-54(57-51)36-16-7-4-8-17-36/h3-34H,1-2H3.
What are the key properties of 4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine?
4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine 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-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 171582716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).