4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine

C58H38N2O — CID 171603660

IUPAC4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3cc(-c4cc(-c5cccc6ccccc56)cc(-c5cccc6oc7ccccc7c56)c4)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C58H38N2O/c1-58(42-21-6-3-7-22-42)49-29-12-10-24-46(49)55-47(28-15-30-50(55)58)52-36-51(59-57(60-52)38-18-4-2-5-19-38)41-34-39(44-26-14-20-37-17-8-9-23-43(37)44)33-40(35-41)45-27-16-32-54-56(45)48-25-11-13-31-53(48)61-54/h2-36H,1H3
InChIKeyHZVNXUCVZCPTQH-UHFFFAOYSA-N
MW778.96 g/mol
LogP15.20
Rot. Bonds6

About 4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine

4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine (PubChem CID 171603660) has the molecular formula C58H38N2O and a molecular weight of 778.96 g/mol. Its IUPAC name is 4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
PubChem CID171603660
Molecular FormulaC58H38N2O
Molecular Weight778.96 g/mol
Exact Mass778.30
IUPAC Name4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3cc(-c4cc(-c5cccc6ccccc56)cc(-c5cccc6oc7ccccc7c56)c4)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C58H38N2O/c1-58(42-21-6-3-7-22-42)49-29-12-10-24-46(49)55-47(28-15-30-50(55)58)52-36-51(59-57(60-52)38-18-4-2-5-19-38)41-34-39(44-26-14-20-37-17-8-9-23-43(37)44)33-40(35-41)45-27-16-32-54-56(45)48-25-11-13-31-53(48)61-54/h2-36H,1H3
InChIKeyHZVNXUCVZCPTQH-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-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
CID 171602125
4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
CID 171584672
4-(9-methyl-9-phenylfluoren-4-yl)-6-[3-(9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-6-yl)phenyl]-2-phenylpyrimidine
CID 171602685
4-(9-methyl-9-phenylfluoren-4-yl)-6-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenylpyrimidine
CID 171603332
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 171584248
4-(4-dibenzofuran-1-ylphenyl)-6-[4-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171602265
4-dibenzofuran-3-yl-6-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602621
4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171602598
4-(2-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
CID 171602778
4-(3-dibenzofuran-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171585138
4-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171602771
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
CID 171583967

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine?
The IUPAC name of 4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine (CID 171603660) is 4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine is CC1(c2ccccc2)c2ccccc2-c2c(-c3cc(-c4cc(-c5cccc6ccccc56)cc(-c5cccc6oc7ccccc7c56)c4)nc(-c4ccccc4)n3)cccc21.
What is the InChIKey of 4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine?
The InChIKey is HZVNXUCVZCPTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O/c1-58(42-21-6-3-7-22-42)49-29-12-10-24-46(49)55-47(28-15-30-50(55)58)52-36-51(59-57(60-52)38-18-4-2-5-19-38)41-34-39(44-26-14-20-37-17-8-9-23-43(37)44)33-40(35-41)45-27-16-32-54-56(45)48-25-11-13-31-53(48)61-54/h2-36H,1H3.
What are the key properties of 4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine?
4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine 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-1-yl-5-naphthalen-1-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine is sourced from PubChem (CID 171603660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).