4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine

C57H36N2O — CID 171603263

IUPAC4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)nc(-c5ccc6ccccc6c5)n4)cc32)cc1
InChIInChI=1S/C57H36N2O/c1-3-18-44(19-4-1)57(45-20-5-2-6-21-45)50-24-11-9-22-46(50)47-30-28-42(35-51(47)57)53-36-52(58-56(59-53)43-27-26-37-14-7-8-15-38(37)33-43)41-17-13-16-39(32-41)40-29-31-55-49(34-40)48-23-10-12-25-54(48)60-55/h1-36H
InChIKeyJNRBVJYHQZYQTK-UHFFFAOYSA-N
MW764.93 g/mol
LogP14.56
Rot. Bonds6

About 4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine

4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine (PubChem CID 171603263) has the molecular formula C57H36N2O and a molecular weight of 764.93 g/mol. Its IUPAC name is 4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
PubChem CID171603263
Molecular FormulaC57H36N2O
Molecular Weight764.93 g/mol
Exact Mass764.28
IUPAC Name4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)nc(-c5ccc6ccccc6c5)n4)cc32)cc1
InChIInChI=1S/C57H36N2O/c1-3-18-44(19-4-1)57(45-20-5-2-6-21-45)50-24-11-9-22-46(50)47-30-28-42(35-51(47)57)53-36-52(58-56(59-53)43-27-26-37-14-7-8-15-38(37)33-43)41-17-13-16-39(32-41)40-29-31-55-49(34-40)48-23-10-12-25-54(48)60-55/h1-36H
InChIKeyJNRBVJYHQZYQTK-UHFFFAOYSA-N
XLogP14.56
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.93
LogP ≤ 514.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)pyrimidine
CID 171603049
4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603052
4-[3-dibenzofuran-2-yl-5-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171584830
2-(3-dibenzofuran-4-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)pyrimidine
CID 171602818
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 171603571
4-(3-dibenzofuran-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171603325
4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171582676
4-dibenzofuran-2-yl-2-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]pyrimidine
CID 171603674
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-phenanthren-9-ylpyrimidine
CID 171603274
4-(2-dibenzofuran-3-ylphenyl)-6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171601905
4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603313
2-dibenzofuran-2-yl-4-(3-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;2-dibenzofuran-3-yl-4-(3-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;2-dibenzofuran-3-yl-4-phenyl-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 158042977

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine?
The IUPAC name of 4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine (CID 171603263) is 4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)nc(-c5ccc6ccccc6c5)n4)cc32)cc1.
What is the InChIKey of 4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine?
The InChIKey is JNRBVJYHQZYQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N2O/c1-3-18-44(19-4-1)57(45-20-5-2-6-21-45)50-24-11-9-22-46(50)47-30-28-42(35-51(47)57)53-36-52(58-56(59-53)43-27-26-37-14-7-8-15-38(37)33-43)41-17-13-16-39(32-41)40-29-31-55-49(34-40)48-23-10-12-25-54(48)60-55/h1-36H.
What are the key properties of 4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine?
4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine has a molecular weight of 764.93 g/mol, XLogP of 14.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine is sourced from PubChem (CID 171603263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).