4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine

C60H40N2O — CID 171584672

IUPAC4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3cc(-c4cc(-c5ccccc5-c5ccccc5)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C60H40N2O/c1-60(44-23-9-4-10-24-44)52-32-15-13-28-50(52)57-51(31-18-33-53(57)60)55-38-54(61-59(62-55)40-21-7-3-8-22-40)43-36-41(46-26-12-11-25-45(46)39-19-5-2-6-20-39)35-42(37-43)47-29-17-30-49-48-27-14-16-34-56(48)63-58(47)49/h2-38H,1H3
InChIKeyFZEFSEMIBYYSGB-UHFFFAOYSA-N
MW804.99 g/mol
LogP15.71
Rot. Bonds7

About 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine

4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine (PubChem CID 171584672) has the molecular formula C60H40N2O and a molecular weight of 804.99 g/mol. Its IUPAC name is 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
PubChem CID171584672
Molecular FormulaC60H40N2O
Molecular Weight804.99 g/mol
Exact Mass804.31
IUPAC Name4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(-c3cc(-c4cc(-c5ccccc5-c5ccccc5)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C60H40N2O/c1-60(44-23-9-4-10-24-44)52-32-15-13-28-50(52)57-51(31-18-33-53(57)60)55-38-54(61-59(62-55)40-21-7-3-8-22-40)43-36-41(46-26-12-11-25-45(46)39-19-5-2-6-20-39)35-42(37-43)47-29-17-30-49-48-27-14-16-34-56(48)63-58(47)49/h2-38H,1H3
InChIKeyFZEFSEMIBYYSGB-UHFFFAOYSA-N
XLogP15.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.99
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
CID 171602778
4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603660
4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methyl-9-phenylfluoren-1-yl)phenyl]-2-phenylpyrimidine
CID 171603888
4-(4-dibenzofuran-4-ylphenyl)-6-[3-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171601900
4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9-methylfluoren-9-yl)phenyl]-2-phenylpyrimidine
CID 171601974
4-dibenzofuran-1-yl-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine
CID 171602125
4-[3-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171602100
4-(9-methyl-9-phenylfluoren-4-yl)-6-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenylpyrimidine
CID 171603332
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 171583334
4-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171582882
4-dibenzofuran-3-yl-6-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602621
4-(2-dibenzofuran-4-ylphenyl)-6-[3-[4-(9-methylfluoren-9-yl)phenyl]phenyl]-2-phenylpyrimidine
CID 171603424

Frequently Asked Questions

What is the IUPAC name of 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine?
The IUPAC name of 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine (CID 171584672) is 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine.
What is the SMILES notation for 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine?
The canonical SMILES for 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine is CC1(c2ccccc2)c2ccccc2-c2c(-c3cc(-c4cc(-c5ccccc5-c5ccccc5)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)cccc21.
What is the InChIKey of 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine?
The InChIKey is FZEFSEMIBYYSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O/c1-60(44-23-9-4-10-24-44)52-32-15-13-28-50(52)57-51(31-18-33-53(57)60)55-38-54(61-59(62-55)40-21-7-3-8-22-40)43-36-41(46-26-12-11-25-45(46)39-19-5-2-6-20-39)35-42(37-43)47-29-17-30-49-48-27-14-16-34-56(48)63-58(47)49/h2-38H,1H3.
What are the key properties of 4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine?
4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine has a molecular weight of 804.99 g/mol, XLogP of 15.71, 7 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-(2-phenylphenyl)phenyl]-6-(9-methyl-9-phenylfluoren-4-yl)-2-phenylpyrimidine is sourced from PubChem (CID 171584672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).