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

C47H30N2O — CID 171603674

IUPAC4-dibenzofuran-2-yl-2-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccccc3C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C47H30N2O/c1-3-15-31(16-4-1)46-48-42(32-27-28-45-38(29-32)36-21-10-14-26-44(36)50-45)30-43(49-46)37-22-9-13-25-41(37)47(33-17-5-2-6-18-33)39-23-11-7-19-34(39)35-20-8-12-24-40(35)47/h1-30H
InChIKeyFLNUVYXPKAPLQE-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.74
Rot. Bonds5

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

4-dibenzofuran-2-yl-2-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]pyrimidine (PubChem CID 171603674) has the molecular formula C47H30N2O and a molecular weight of 638.77 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-2-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-2-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]pyrimidine
PubChem CID171603674
Molecular FormulaC47H30N2O
Molecular Weight638.77 g/mol
Exact Mass638.24
IUPAC Name4-dibenzofuran-2-yl-2-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccccc3C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C47H30N2O/c1-3-15-31(16-4-1)46-48-42(32-27-28-45-38(29-32)36-21-10-14-26-44(36)50-45)30-43(49-46)37-22-9-13-25-41(37)47(33-17-5-2-6-18-33)39-23-11-7-19-34(39)35-20-8-12-24-40(35)47/h1-30H
InChIKeyFLNUVYXPKAPLQE-UHFFFAOYSA-N
XLogP11.74
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603052
4-(4-dibenzofuran-2-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603028
4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine
CID 146367846
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)pyrimidine
CID 171603049
4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603313
4-[3-dibenzofuran-2-yl-5-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171584830
4-(3-dibenzofuran-2-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603030
4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602845
4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603556
2-dibenzofuran-2-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 153288111
4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
CID 171603263
4-dibenzofuran-2-yl-6-(9-methyl-9-phenylfluoren-1-yl)-2-phenylpyrimidine
CID 171602426

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-2-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]pyrimidine?
The IUPAC name of 4-dibenzofuran-2-yl-2-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]pyrimidine (CID 171603674) is 4-dibenzofuran-2-yl-2-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]pyrimidine.
What is the SMILES notation for 4-dibenzofuran-2-yl-2-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]pyrimidine?
The canonical SMILES for 4-dibenzofuran-2-yl-2-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]pyrimidine is c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccccc3C3(c4ccccc4)c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 4-dibenzofuran-2-yl-2-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]pyrimidine?
The InChIKey is FLNUVYXPKAPLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O/c1-3-15-31(16-4-1)46-48-42(32-27-28-45-38(29-32)36-21-10-14-26-44(36)50-45)30-43(49-46)37-22-9-13-25-41(37)47(33-17-5-2-6-18-33)39-23-11-7-19-34(39)35-20-8-12-24-40(35)47/h1-30H.
What are the key properties of 4-dibenzofuran-2-yl-2-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]pyrimidine?
4-dibenzofuran-2-yl-2-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]pyrimidine has a molecular weight of 638.77 g/mol, XLogP of 11.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-2-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]pyrimidine is sourced from PubChem (CID 171603674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).