4-dibenzofuran-4-yl-6-[2-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine

C53H34N2O — CID 171602923

IUPAC4-dibenzofuran-4-yl-6-[2-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3-c3cccc4c3C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C53H34N2O/c1-4-18-35(19-5-1)52-54-47(34-48(55-52)45-31-17-30-44-41-27-13-15-33-49(41)56-51(44)45)40-26-11-10-24-38(40)42-28-16-29-43-39-25-12-14-32-46(39)53(50(42)43,36-20-6-2-7-21-36)37-22-8-3-9-23-37/h1-34H
InChIKeyHSPCRMAMCKGZLV-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.41
Rot. Bonds6

About 4-dibenzofuran-4-yl-6-[2-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine

4-dibenzofuran-4-yl-6-[2-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine (PubChem CID 171602923) has the molecular formula C53H34N2O and a molecular weight of 714.87 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-6-[2-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-6-[2-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine
PubChem CID171602923
Molecular FormulaC53H34N2O
Molecular Weight714.87 g/mol
Exact Mass714.27
IUPAC Name4-dibenzofuran-4-yl-6-[2-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3-c3cccc4c3C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C53H34N2O/c1-4-18-35(19-5-1)52-54-47(34-48(55-52)45-31-17-30-44-41-27-13-15-33-49(41)56-51(44)45)40-26-11-10-24-38(40)42-28-16-29-43-39-25-12-14-32-46(39)53(50(42)43,36-20-6-2-7-21-36)37-22-8-3-9-23-37/h1-34H
InChIKeyHSPCRMAMCKGZLV-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-(2-dibenzofuran-4-ylphenyl)-2-phenyl-6-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603080
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]-2-ylpyrimidine
CID 146969373
4-dibenzofuran-4-yl-2-(9,9-diphenylfluoren-2-yl)-6-(2,4-diphenylphenyl)pyrimidine
CID 146669920
4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603283
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-dibenzofuran-4-yl-6-[3-(9,9-diphenylfluoren-3-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171602202
4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602182
4-[3-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171601926
2-dibenzofuran-4-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-1-yl)pyrimidine
CID 146648524
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-4-yl)-2-phenylpyrimidine
CID 171602100

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-6-[2-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-dibenzofuran-4-yl-6-[2-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine (CID 171602923) is 4-dibenzofuran-4-yl-6-[2-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-dibenzofuran-4-yl-6-[2-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-dibenzofuran-4-yl-6-[2-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine is c1ccc(-c2nc(-c3ccccc3-c3cccc4c3C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-6-[2-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine?
The InChIKey is HSPCRMAMCKGZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O/c1-4-18-35(19-5-1)52-54-47(34-48(55-52)45-31-17-30-44-41-27-13-15-33-49(41)56-51(44)45)40-26-11-10-24-38(40)42-28-16-29-43-39-25-12-14-32-46(39)53(50(42)43,36-20-6-2-7-21-36)37-22-8-3-9-23-37/h1-34H.
What are the key properties of 4-dibenzofuran-4-yl-6-[2-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine?
4-dibenzofuran-4-yl-6-[2-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine 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-6-[2-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 171602923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).