4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine

C58H38N2O — CID 171602480

IUPAC4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccc5ccccc5c4)n3)cc21
InChIInChI=1S/C58H38N2O/c1-58(45-19-6-3-7-20-45)51-25-12-10-21-47(51)48-30-29-40(35-52(48)58)53-36-54(60-57(59-53)41-28-27-38-17-8-9-18-39(38)31-41)44-33-42(37-15-4-2-5-16-37)32-43(34-44)46-23-14-24-50-49-22-11-13-26-55(49)61-56(46)50/h2-36H,1H3
InChIKeyUJVYRIMMIVIJDN-UHFFFAOYSA-N
MW778.96 g/mol
LogP15.20
Rot. Bonds6

About 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine

4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine (PubChem CID 171602480) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
PubChem CID171602480
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC Name4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccc5ccccc5c4)n3)cc21
InChIInChI=1S/C58H38N2O/c1-58(45-19-6-3-7-20-45)51-25-12-10-21-47(51)48-30-29-40(35-52(48)58)53-36-54(60-57(59-53)41-28-27-38-17-8-9-18-39(38)31-41)44-33-42(37-15-4-2-5-16-37)32-43(34-44)46-23-14-24-50-49-22-11-13-26-55(49)61-56(46)50/h2-36H,1H3
InChIKeyUJVYRIMMIVIJDN-UHFFFAOYSA-N
XLogP15.20
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-dibenzofuran-2-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
CID 171602496
4-(3-dibenzofuran-2-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-2-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171601950
4-(4-dibenzofuran-4-ylphenyl)-6-[3-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171601900
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 171583506
4-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine
CID 130465796
4-(4-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171602158
4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603989
4-(3-dibenzofuran-4-yl-5-dibenzothiophen-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171602022
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 171584288
4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-1-yl)phenyl]-2-phenylpyrimidine
CID 171603888
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585086
4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603712

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine?
The IUPAC name of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine (CID 171602480) is 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine is CC1(c2ccccc2)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccc5ccccc5c4)n3)cc21.
What is the InChIKey of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine?
The InChIKey is UJVYRIMMIVIJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-58(45-19-6-3-7-20-45)51-25-12-10-21-47(51)48-30-29-40(35-52(48)58)53-36-54(60-57(59-53)41-28-27-38-17-8-9-18-39(38)31-41)44-33-42(37-15-4-2-5-16-37)32-43(34-44)46-23-14-24-50-49-22-11-13-26-55(49)61-56(46)50/h2-36H,1H3.
What are the key properties of 4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine?
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine has a molecular weight of 778.96 g/mol, XLogP of 15.20, 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)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine is sourced from PubChem (CID 171602480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).