4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine

C214H132N8O5S — CID 157282502

IUPAC4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C57H36N2O.C53H32N2O2.C53H32N2OS.C51H32N2O/c1-3-17-37(18-4-1)41-33-34-47(44-24-8-7-23-43(41)44)53-36-52(58-56(59-53)38-19-5-2-6-20-38)40-22-15-21-39(35-40)42-27-16-31-51-55(42)60-54-32-14-13-30-50(54)57(51)48-28-11-9-25-45(48)46-26-10-12-29-49(46)57;1-2-14-33(15-3-1)52-54-46(32-47(55-52)36-28-29-41-40-20-6-10-26-48(40)56-50(41)31-36)35-17-12-16-34(30-35)37-21-13-25-45-51(37)57-49-27-11-9-24-44(49)53(45)42-22-7-4-18-38(42)39-19-5-8-23-43(39)53;1-2-14-33(15-3-1)52-54-46(32-47(55-52)36-28-29-41-40-20-6-11-27-49(40)57-50(41)31-36)35-17-12-16-34(30-35)37-21-13-25-45-51(37)56-48-26-10-9-24-44(48)53(45)42-22-7-4-18-38(42)39-19-5-8-23-43(39)53;1-2-16-34(17-3-1)50-52-46(32-47(53-50)41-25-13-18-33-15-4-5-21-37(33)41)36-20-12-19-35(31-36)38-24-14-29-45-49(38)54-48-30-11-10-28-44(48)51(45)42-26-8-6-22-39(42)40-23-7-9-27-43(40)51/h1-36H;2*1-32H;1-32H
InChIKeyAZVFRNJGWHCLGK-UHFFFAOYSA-N
MW2927.53 g/mol
LogP54.69
Rot. Bonds17

About 4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine

4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine (PubChem CID 157282502) has the molecular formula C214H132N8O5S and a molecular weight of 2927.53 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
PubChem CID157282502
Molecular FormulaC214H132N8O5S
Molecular Weight2927.53 g/mol
Exact Mass2925.00
IUPAC Name4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C57H36N2O.C53H32N2O2.C53H32N2OS.C51H32N2O/c1-3-17-37(18-4-1)41-33-34-47(44-24-8-7-23-43(41)44)53-36-52(58-56(59-53)38-19-5-2-6-20-38)40-22-15-21-39(35-40)42-27-16-31-51-55(42)60-54-32-14-13-30-50(54)57(51)48-28-11-9-25-45(48)46-26-10-12-29-49(46)57;1-2-14-33(15-3-1)52-54-46(32-47(55-52)36-28-29-41-40-20-6-10-26-48(40)56-50(41)31-36)35-17-12-16-34(30-35)37-21-13-25-45-51(37)57-49-27-11-9-24-44(49)53(45)42-22-7-4-18-38(42)39-19-5-8-23-43(39)53;1-2-14-33(15-3-1)52-54-46(32-47(55-52)36-28-29-41-40-20-6-11-27-49(40)57-50(41)31-36)35-17-12-16-34(30-35)37-21-13-25-45-51(37)56-48-26-10-9-24-44(48)53(45)42-22-7-4-18-38(42)39-19-5-8-23-43(39)53;1-2-16-34(17-3-1)50-52-46(32-47(53-50)41-25-13-18-33-15-4-5-21-37(33)41)36-20-12-19-35(31-36)38-24-14-29-45-49(38)54-48-30-11-10-28-44(48)51(45)42-26-8-6-22-39(42)40-23-7-9-27-43(40)51/h1-36H;2*1-32H;1-32H
InChIKeyAZVFRNJGWHCLGK-UHFFFAOYSA-N
XLogP54.69
TPSA153.18 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms228
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002927.53
LogP ≤ 554.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine?
The IUPAC name of 4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine (CID 157282502) is 4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine.
What is the SMILES notation for 4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine?
The canonical SMILES for 4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine?
The InChIKey is AZVFRNJGWHCLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N2O.C53H32N2O2.C53H32N2OS.C51H32N2O/c1-3-17-37(18-4-1)41-33-34-47(44-24-8-7-23-43(41)44)53-36-52(58-56(59-53)38-19-5-2-6-20-38)40-22-15-21-39(35-40)42-27-16-31-51-55(42)60-54-32-14-13-30-50(54)57(51)48-28-11-9-25-45(48)46-26-10-12-29-49(46)57;1-2-14-33(15-3-1)52-54-46(32-47(55-52)36-28-29-41-40-20-6-10-26-48(40)56-50(41)31-36)35-17-12-16-34(30-35)37-21-13-25-45-51(37)57-49-27-11-9-24-44(49)53(45)42-22-7-4-18-38(42)39-19-5-8-23-43(39)53;1-2-14-33(15-3-1)52-54-46(32-47(55-52)36-28-29-41-40-20-6-11-27-49(40)57-50(41)31-36)35-17-12-16-34(30-35)37-21-13-25-45-51(37)56-48-26-10-9-24-44(48)53(45)42-22-7-4-18-38(42)39-19-5-8-23-43(39)53;1-2-16-34(17-3-1)50-52-46(32-47(53-50)41-25-13-18-33-15-4-5-21-37(33)41)36-20-12-19-35(31-36)38-24-14-29-45-49(38)54-48-30-11-10-28-44(48)51(45)42-26-8-6-22-39(42)40-23-7-9-27-43(40)51/h1-36H;2*1-32H;1-32H.
What are the key properties of 4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine?
4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine has a molecular weight of 2927.53 g/mol, XLogP of 54.69, 17 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine is sourced from PubChem (CID 157282502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).