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

C55H38N2O — CID 171585138

IUPAC4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-c4cc(-c5cc(-c6ccccc6)cc(-c6cccc7oc8ccccc8c67)c5)nc(-c5ccccc5)n4)c3)cccc21
InChIInChI=1S/C55H38N2O/c1-55(2)46-26-11-9-22-44(46)52-42(24-14-27-47(52)55)37-20-13-21-38(30-37)48-34-49(57-54(56-48)36-18-7-4-8-19-36)41-32-39(35-16-5-3-6-17-35)31-40(33-41)43-25-15-29-51-53(43)45-23-10-12-28-50(45)58-51/h3-34H,1-2H3
InChIKeyKEAKDVFLJRKGLK-UHFFFAOYSA-N
MW742.92 g/mol
LogP14.68
Rot. Bonds6

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

4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine (PubChem CID 171585138) has the molecular formula C55H38N2O and a molecular weight of 742.92 g/mol. Its IUPAC name is 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
PubChem CID171585138
Molecular FormulaC55H38N2O
Molecular Weight742.92 g/mol
Exact Mass742.30
IUPAC Name4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-c4cc(-c5cc(-c6ccccc6)cc(-c6cccc7oc8ccccc8c67)c5)nc(-c5ccccc5)n4)c3)cccc21
InChIInChI=1S/C55H38N2O/c1-55(2)46-26-11-9-22-44(46)52-42(24-14-27-47(52)55)37-20-13-21-38(30-37)48-34-49(57-54(56-48)36-18-7-4-8-19-36)41-32-39(35-16-5-3-6-17-35)31-40(33-41)43-25-15-29-51-53(43)45-23-10-12-28-50(45)58-51/h3-34H,1-2H3
InChIKeyKEAKDVFLJRKGLK-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

2-[3-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129292164
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 171584248
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171583008
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171585452
4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl)phenyl]-2-phenylpyrimidine
CID 176793434
4-(9,9-dimethylfluoren-4-yl)-6-(3-naphtho[1,2-b][1]benzofuran-5-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583445
2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[3-[9-(3-phenylphenyl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine
CID 170681289
4-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171582882
2-(6-dibenzofuran-1-yl-9,9-dimethylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 118507911
2-dibenzofuran-1-yl-4-[8-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166003049
4-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272139
4-[3-dibenzofuran-3-yl-5-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 176795036

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine (CID 171585138) is 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine is CC1(C)c2ccccc2-c2c(-c3cccc(-c4cc(-c5cc(-c6ccccc6)cc(-c6cccc7oc8ccccc8c67)c5)nc(-c5ccccc5)n4)c3)cccc21.
What is the InChIKey of 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
The InChIKey is KEAKDVFLJRKGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2O/c1-55(2)46-26-11-9-22-44(46)52-42(24-14-27-47(52)55)37-20-13-21-38(30-37)48-34-49(57-54(56-48)36-18-7-4-8-19-36)41-32-39(35-16-5-3-6-17-35)31-40(33-41)43-25-15-29-51-53(43)45-23-10-12-28-50(45)58-51/h3-34H,1-2H3.
What are the key properties of 4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine?
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-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-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 171585138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).