4-dibenzofuran-4-yl-2-phenyl-6-(5,9,9-triphenylfluoren-2-yl)pyrimidine

C53H34N2O — CID 171601946

IUPAC4-dibenzofuran-4-yl-2-phenyl-6-(5,9,9-triphenylfluoren-2-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)cc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C53H34N2O/c1-5-17-35(18-6-1)40-26-16-29-45-50(40)43-32-31-37(33-46(43)53(45,38-21-9-3-10-22-38)39-23-11-4-12-24-39)47-34-48(55-52(54-47)36-19-7-2-8-20-36)44-28-15-27-42-41-25-13-14-30-49(41)56-51(42)44/h1-34H
InChIKeyXRLUQEFVDXJAEB-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.41
Rot. Bonds6

About 4-dibenzofuran-4-yl-2-phenyl-6-(5,9,9-triphenylfluoren-2-yl)pyrimidine

4-dibenzofuran-4-yl-2-phenyl-6-(5,9,9-triphenylfluoren-2-yl)pyrimidine (PubChem CID 171601946) 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-(5,9,9-triphenylfluoren-2-yl)pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-2-phenyl-6-(5,9,9-triphenylfluoren-2-yl)pyrimidine
PubChem CID171601946
Molecular FormulaC53H34N2O
Molecular Weight714.87 g/mol
Exact Mass714.27
IUPAC Name4-dibenzofuran-4-yl-2-phenyl-6-(5,9,9-triphenylfluoren-2-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)cc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C53H34N2O/c1-5-17-35(18-6-1)40-26-16-29-45-50(40)43-32-31-37(33-46(43)53(45,38-21-9-3-10-22-38)39-23-11-4-12-24-39)47-34-48(55-52(54-47)36-19-7-2-8-20-36)44-28-15-27-42-41-25-13-14-30-49(41)56-51(42)44/h1-34H
InChIKeyXRLUQEFVDXJAEB-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-(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-4-yl)-2-phenylpyrimidine
CID 171602100
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]-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-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171602380
4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602845
4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602956
4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603313
4-[3-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]phenyl]-6-dibenzofuran-4-yl-2-phenylpyrimidine
CID 171603841

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-2-phenyl-6-(5,9,9-triphenylfluoren-2-yl)pyrimidine?
The IUPAC name of 4-dibenzofuran-4-yl-2-phenyl-6-(5,9,9-triphenylfluoren-2-yl)pyrimidine (CID 171601946) is 4-dibenzofuran-4-yl-2-phenyl-6-(5,9,9-triphenylfluoren-2-yl)pyrimidine.
What is the SMILES notation for 4-dibenzofuran-4-yl-2-phenyl-6-(5,9,9-triphenylfluoren-2-yl)pyrimidine?
The canonical SMILES for 4-dibenzofuran-4-yl-2-phenyl-6-(5,9,9-triphenylfluoren-2-yl)pyrimidine is c1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cccc(-c5ccccc5)c3-4)cc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-2-phenyl-6-(5,9,9-triphenylfluoren-2-yl)pyrimidine?
The InChIKey is XRLUQEFVDXJAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O/c1-5-17-35(18-6-1)40-26-16-29-45-50(40)43-32-31-37(33-46(43)53(45,38-21-9-3-10-22-38)39-23-11-4-12-24-39)47-34-48(55-52(54-47)36-19-7-2-8-20-36)44-28-15-27-42-41-25-13-14-30-49(41)56-51(42)44/h1-34H.
What are the key properties of 4-dibenzofuran-4-yl-2-phenyl-6-(5,9,9-triphenylfluoren-2-yl)pyrimidine?
4-dibenzofuran-4-yl-2-phenyl-6-(5,9,9-triphenylfluoren-2-yl)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-(5,9,9-triphenylfluoren-2-yl)pyrimidine is sourced from PubChem (CID 171601946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).