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

C65H42N2O — CID 171582649

IUPAC4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-diphenylfluoren-3-yl)-2-phenylpyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4cc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cccc5c4oc4ccccc45)c3)c2)cc1
InChIInChI=1S/C65H42N2O/c1-5-19-43(20-6-1)45-23-17-24-46(37-45)48-38-49(53-31-18-32-56-55-30-14-16-34-62(55)68-63(53)56)40-50(39-48)61-42-60(66-64(67-61)44-21-7-2-8-22-44)47-35-36-59-57(41-47)54-29-13-15-33-58(54)65(59,51-25-9-3-10-26-51)52-27-11-4-12-28-52/h1-42H
InChIKeyXBVWAGSOJXJYES-UHFFFAOYSA-N
MW867.06 g/mol
LogP16.74
Rot. Bonds8

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

4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-diphenylfluoren-3-yl)-2-phenylpyrimidine (PubChem CID 171582649) has the molecular formula C65H42N2O and a molecular weight of 867.06 g/mol. Its IUPAC name is 4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-diphenylfluoren-3-yl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-diphenylfluoren-3-yl)-2-phenylpyrimidine
PubChem CID171582649
Molecular FormulaC65H42N2O
Molecular Weight867.06 g/mol
Exact Mass866.33
IUPAC Name4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-diphenylfluoren-3-yl)-2-phenylpyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4cc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cccc5c4oc4ccccc45)c3)c2)cc1
InChIInChI=1S/C65H42N2O/c1-5-19-43(20-6-1)45-23-17-24-46(37-45)48-38-49(53-31-18-32-56-55-30-14-16-34-62(55)68-63(53)56)40-50(39-48)61-42-60(66-64(67-61)44-21-7-2-8-22-44)47-35-36-59-57(41-47)54-29-13-15-33-58(54)65(59,51-25-9-3-10-26-51)52-27-11-4-12-28-52/h1-42H
InChIKeyXBVWAGSOJXJYES-UHFFFAOYSA-N
XLogP16.74
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.06
LogP ≤ 516.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9,9-diphenylfluoren-3-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171601945
4-dibenzofuran-4-yl-6-[3-(9,9-diphenylfluoren-3-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171602202
4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171601858
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine
CID 171584220
4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603283
2-(3-dibenzofuran-4-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)pyrimidine
CID 171602818
4-[3-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171601926
4-dibenzofuran-4-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603443
4-dibenzofuran-4-yl-2-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylpyrimidine
CID 153252602
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-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585086
2-dibenzofuran-4-yl-4-[3-(9,9-diphenylfluoren-2-yl)-5-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 164799713

Frequently Asked Questions

What is the IUPAC name of 4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-diphenylfluoren-3-yl)-2-phenylpyrimidine?
The IUPAC name of 4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-diphenylfluoren-3-yl)-2-phenylpyrimidine (CID 171582649) is 4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-diphenylfluoren-3-yl)-2-phenylpyrimidine.
What is the SMILES notation for 4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-diphenylfluoren-3-yl)-2-phenylpyrimidine?
The canonical SMILES for 4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-diphenylfluoren-3-yl)-2-phenylpyrimidine is c1ccc(-c2cccc(-c3cc(-c4cc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cccc5c4oc4ccccc45)c3)c2)cc1.
What is the InChIKey of 4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-diphenylfluoren-3-yl)-2-phenylpyrimidine?
The InChIKey is XBVWAGSOJXJYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N2O/c1-5-19-43(20-6-1)45-23-17-24-46(37-45)48-38-49(53-31-18-32-56-55-30-14-16-34-62(55)68-63(53)56)40-50(39-48)61-42-60(66-64(67-61)44-21-7-2-8-22-44)47-35-36-59-57(41-47)54-29-13-15-33-58(54)65(59,51-25-9-3-10-26-51)52-27-11-4-12-28-52/h1-42H.
What are the key properties of 4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-diphenylfluoren-3-yl)-2-phenylpyrimidine?
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-diphenylfluoren-3-yl)-2-phenylpyrimidine has a molecular weight of 867.06 g/mol, XLogP of 16.74, 8 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-(3-phenylphenyl)phenyl]-6-(9,9-diphenylfluoren-3-yl)-2-phenylpyrimidine is sourced from PubChem (CID 171582649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).