4-dibenzofuran-4-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine

C53H34N2O — CID 171603443

IUPAC4-dibenzofuran-4-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)c3)cc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C53H34N2O/c1-3-16-35(17-4-1)52-54-48(34-49(55-52)45-28-15-27-44-43-26-9-12-31-50(43)56-51(44)45)38-20-13-18-36(32-38)37-19-14-23-40(33-37)53(39-21-5-2-6-22-39)46-29-10-7-24-41(46)42-25-8-11-30-47(42)53/h1-34H
InChIKeyVVWVXMMJORGWDC-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.41
Rot. Bonds6

About 4-dibenzofuran-4-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine

4-dibenzofuran-4-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine (PubChem CID 171603443) has the molecular formula C53H34N2O and a molecular weight of 714.87 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
PubChem CID171603443
Molecular FormulaC53H34N2O
Molecular Weight714.87 g/mol
Exact Mass714.27
IUPAC Name4-dibenzofuran-4-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)c3)cc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C53H34N2O/c1-3-16-35(17-4-1)52-54-48(34-49(55-52)45-28-15-27-44-43-26-9-12-31-50(43)56-51(44)45)38-20-13-18-36(32-38)37-19-14-23-40(33-37)53(39-21-5-2-6-22-39)46-29-10-7-24-41(46)42-25-8-11-30-47(42)53/h1-34H
InChIKeyVVWVXMMJORGWDC-UHFFFAOYSA-N
XLogP13.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-dibenzofuran-4-yl-6-[3-(9,9-diphenylfluoren-3-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171602202
4-(2-dibenzofuran-4-ylphenyl)-2-phenyl-6-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603080
4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603283
4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171601858
4-[3-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171601926
4-dibenzofuran-4-yl-6-[2-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine
CID 171602923
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-diphenylfluoren-3-yl)-2-phenylpyrimidine
CID 171582649
4-[3-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]phenyl]-6-dibenzofuran-4-yl-2-phenylpyrimidine
CID 171603841
4-[3-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171602100
4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9,9-diphenylfluoren-3-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171601945
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]-2-ylpyrimidine
CID 146969373
4-dibenzofuran-4-yl-2-phenyl-6-(5,9,9-triphenylfluoren-2-yl)pyrimidine
CID 171601946

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine?
The IUPAC name of 4-dibenzofuran-4-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine (CID 171603443) is 4-dibenzofuran-4-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine.
What is the SMILES notation for 4-dibenzofuran-4-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine?
The canonical SMILES for 4-dibenzofuran-4-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine is c1ccc(-c2nc(-c3cccc(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)c3)cc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine?
The InChIKey is VVWVXMMJORGWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O/c1-3-16-35(17-4-1)52-54-48(34-49(55-52)45-28-15-27-44-43-26-9-12-31-50(43)56-51(44)45)38-20-13-18-36(32-38)37-19-14-23-40(33-37)53(39-21-5-2-6-22-39)46-29-10-7-24-41(46)42-25-8-11-30-47(42)53/h1-34H.
What are the key properties of 4-dibenzofuran-4-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine?
4-dibenzofuran-4-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine has a molecular weight of 714.87 g/mol, XLogP of 13.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine is sourced from PubChem (CID 171603443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).