4-(3-dibenzofuran-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine

C57H36N2O — CID 171603325

IUPAC4-(3-dibenzofuran-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)nc(-c5cccc6ccccc56)n4)cc32)cc1
InChIInChI=1S/C57H36N2O/c1-3-19-42(20-4-1)57(43-21-5-2-6-22-43)50-27-11-9-24-45(50)46-31-30-41(34-51(46)57)53-36-52(58-56(59-53)49-26-14-16-37-15-7-8-23-44(37)49)40-18-13-17-38(33-40)39-29-32-48-47-25-10-12-28-54(47)60-55(48)35-39/h1-36H
InChIKeyVJCJPIXVMIWFEA-UHFFFAOYSA-N
MW764.93 g/mol
LogP14.56
Rot. Bonds6

About 4-(3-dibenzofuran-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine

4-(3-dibenzofuran-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine (PubChem CID 171603325) has the molecular formula C57H36N2O and a molecular weight of 764.93 g/mol. Its IUPAC name is 4-(3-dibenzofuran-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
PubChem CID171603325
Molecular FormulaC57H36N2O
Molecular Weight764.93 g/mol
Exact Mass764.28
IUPAC Name4-(3-dibenzofuran-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)nc(-c5cccc6ccccc56)n4)cc32)cc1
InChIInChI=1S/C57H36N2O/c1-3-19-42(20-4-1)57(43-21-5-2-6-22-43)50-27-11-9-24-45(50)46-31-30-41(34-51(46)57)53-36-52(58-56(59-53)49-26-14-16-37-15-7-8-23-44(37)49)40-18-13-17-38(33-40)39-29-32-48-47-25-10-12-28-54(47)60-55(48)35-39/h1-36H
InChIKeyVJCJPIXVMIWFEA-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

Analyze 4-(3-dibenzofuran-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-dibenzofuran-3-ylphenyl)-6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171601905
4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171602380
4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-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]-11'-ylpyrimidine
CID 149321962
4-dibenzofuran-3-yl-2-(3-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]-11'-ylpyrimidine
CID 147777919
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)pyrimidine
CID 171603049
4-[4-(4-dibenzofuran-3-ylnaphthalen-1-yl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603662
4-(2-dibenzofuran-4-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171601901
4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
CID 171603263
4-dibenzofuran-3-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171603523
2-(3-dibenzofuran-3-yl-9,9-diphenylfluoren-2-yl)-4,6-diphenylpyrimidine
CID 146367821
4-(3-dibenzofuran-1-yl-5-naphthalen-1-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171602598
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 171582533

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine?
The IUPAC name of 4-(3-dibenzofuran-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine (CID 171603325) is 4-(3-dibenzofuran-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5cccc(-c6ccc7c(c6)oc6ccccc67)c5)nc(-c5cccc6ccccc56)n4)cc32)cc1.
What is the InChIKey of 4-(3-dibenzofuran-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine?
The InChIKey is VJCJPIXVMIWFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N2O/c1-3-19-42(20-4-1)57(43-21-5-2-6-22-43)50-27-11-9-24-45(50)46-31-30-41(34-51(46)57)53-36-52(58-56(59-53)49-26-14-16-37-15-7-8-23-44(37)49)40-18-13-17-38(33-40)39-29-32-48-47-25-10-12-28-54(47)60-55(48)35-39/h1-36H.
What are the key properties of 4-(3-dibenzofuran-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine?
4-(3-dibenzofuran-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-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-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine is sourced from PubChem (CID 171603325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).