4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-phenylpyrimidine

C59H40N2O — CID 171583538

IUPAC4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4cc(-c5cc(-c6ccccc6)cc(-c6ccc7oc8ccccc8c7c6)c5)nc(-c5ccccc5)n4)cc3)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C59H40N2O/c1-59(2)52-35-43(26-28-48(52)50-29-25-39-15-9-10-18-47(39)57(50)59)38-21-23-40(24-22-38)53-36-54(61-58(60-53)41-16-7-4-8-17-41)46-32-44(37-13-5-3-6-14-37)31-45(33-46)42-27-30-56-51(34-42)49-19-11-12-20-55(49)62-56/h3-36H,1-2H3
InChIKeyXTMIDSOYDTZLOU-UHFFFAOYSA-N
MW792.98 g/mol
LogP15.84
Rot. Bonds6

About 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-phenylpyrimidine

4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-phenylpyrimidine (PubChem CID 171583538) has the molecular formula C59H40N2O and a molecular weight of 792.98 g/mol. Its IUPAC name is 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-phenylpyrimidine
PubChem CID171583538
Molecular FormulaC59H40N2O
Molecular Weight792.98 g/mol
Exact Mass792.31
IUPAC Name4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-phenylpyrimidine
SMILESCC1(C)c2cc(-c3ccc(-c4cc(-c5cc(-c6ccccc6)cc(-c6ccc7oc8ccccc8c7c6)c5)nc(-c5ccccc5)n4)cc3)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C59H40N2O/c1-59(2)52-35-43(26-28-48(52)50-29-25-39-15-9-10-18-47(39)57(50)59)38-21-23-40(24-22-38)53-36-54(61-58(60-53)41-16-7-4-8-17-41)46-32-44(37-13-5-3-6-14-37)31-45(33-46)42-27-30-56-51(34-42)49-19-11-12-20-55(49)62-56/h3-36H,1-2H3
InChIKeyXTMIDSOYDTZLOU-UHFFFAOYSA-N
XLogP15.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.98
LogP ≤ 515.84
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-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-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 171583328
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-dibenzofuran-3-yl-6-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168777819
4-(11,11-dimethylbenzo[a]fluoren-9-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 146632846
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583329
4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171582716
4-[4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168779475
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583274

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-phenylpyrimidine (CID 171583538) is 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-phenylpyrimidine is CC1(C)c2cc(-c3ccc(-c4cc(-c5cc(-c6ccccc6)cc(-c6ccc7oc8ccccc8c7c6)c5)nc(-c5ccccc5)n4)cc3)ccc2-c2ccc3ccccc3c21.
What is the InChIKey of 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-phenylpyrimidine?
The InChIKey is XTMIDSOYDTZLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2O/c1-59(2)52-35-43(26-28-48(52)50-29-25-39-15-9-10-18-47(39)57(50)59)38-21-23-40(24-22-38)53-36-54(61-58(60-53)41-16-7-4-8-17-41)46-32-44(37-13-5-3-6-14-37)31-45(33-46)42-27-30-56-51(34-42)49-19-11-12-20-55(49)62-56/h3-36H,1-2H3.
What are the key properties of 4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-phenylpyrimidine?
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-phenylpyrimidine has a molecular weight of 792.98 g/mol, XLogP of 15.84, 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)-6-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 171583538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).