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

C311H193N13O7S — CID 160720326

IUPAC4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C57H36N2O.C53H32N2O2.C53H32N2OS.2C51H32N2O.C46H29N3O/c1-3-16-37(17-4-1)42-31-32-47(44-23-8-7-22-43(42)44)53-36-52(58-56(59-53)38-18-5-2-6-19-38)41-21-15-20-39(34-41)40-30-33-51-55(35-40)60-54-29-14-13-28-50(54)57(51)48-26-11-9-24-45(48)46-25-10-12-27-49(46)57;1-2-13-33(14-3-1)52-54-46(32-47(55-52)37-25-27-41-40-19-6-10-23-48(40)56-50(41)31-37)36-16-12-15-34(29-36)35-26-28-45-51(30-35)57-49-24-11-9-22-44(49)53(45)42-20-7-4-17-38(42)39-18-5-8-21-43(39)53;1-2-13-33(14-3-1)52-54-46(32-47(55-52)37-25-27-41-40-19-6-11-24-50(40)57-51(41)31-37)36-16-12-15-34(29-36)35-26-28-45-49(30-35)56-48-23-10-9-22-44(48)53(45)42-20-7-4-17-38(42)39-18-5-8-21-43(39)53;1-2-15-34(16-3-1)50-52-46(32-47(53-50)41-23-13-17-33-14-4-5-20-38(33)41)37-19-12-18-35(30-37)36-28-29-45-49(31-36)54-48-27-11-10-26-44(48)51(45)42-24-8-6-21-39(42)40-22-7-9-25-43(40)51;1-2-14-34(15-3-1)50-52-46(32-47(53-50)39-26-25-33-13-4-5-16-35(33)29-39)38-18-12-17-36(30-38)37-27-28-45-49(31-37)54-48-24-11-10-23-44(48)51(45)42-21-8-6-19-40(42)41-20-7-9-22-43(41)51;1-2-13-30(14-3-1)45-48-41(29-42(49-45)40-22-10-11-26-47-40)33-16-12-15-31(27-33)32-24-25-39-44(28-32)50-43-23-9-8-21-38(43)46(39)36-19-6-4-17-34(36)35-18-5-7-20-37(35)46/h1-36H;2*1-32H;2*1-32H;1-29H
InChIKeyRTACOYKTNZUNMH-UHFFFAOYSA-N
MW4256.12 g/mol
LogP78.47
Rot. Bonds25

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

4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine (PubChem CID 160720326) has the molecular formula C311H193N13O7S and a molecular weight of 4256.12 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
PubChem CID160720326
Molecular FormulaC311H193N13O7S
Molecular Weight4256.12 g/mol
Exact Mass4252.49
IUPAC Name4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C57H36N2O.C53H32N2O2.C53H32N2OS.2C51H32N2O.C46H29N3O/c1-3-16-37(17-4-1)42-31-32-47(44-23-8-7-22-43(42)44)53-36-52(58-56(59-53)38-18-5-2-6-19-38)41-21-15-20-39(34-41)40-30-33-51-55(35-40)60-54-29-14-13-28-50(54)57(51)48-26-11-9-24-45(48)46-25-10-12-27-49(46)57;1-2-13-33(14-3-1)52-54-46(32-47(55-52)37-25-27-41-40-19-6-10-23-48(40)56-50(41)31-37)36-16-12-15-34(29-36)35-26-28-45-51(30-35)57-49-24-11-9-22-44(49)53(45)42-20-7-4-17-38(42)39-18-5-8-21-43(39)53;1-2-13-33(14-3-1)52-54-46(32-47(55-52)37-25-27-41-40-19-6-11-24-50(40)57-51(41)31-37)36-16-12-15-34(29-36)35-26-28-45-49(30-35)56-48-23-10-9-22-44(48)53(45)42-20-7-4-17-38(42)39-18-5-8-21-43(39)53;1-2-15-34(16-3-1)50-52-46(32-47(53-50)41-23-13-17-33-14-4-5-20-38(33)41)37-19-12-18-35(30-37)36-28-29-45-49(31-36)54-48-27-11-10-26-44(48)51(45)42-24-8-6-21-39(42)40-22-7-9-25-43(40)51;1-2-14-34(15-3-1)50-52-46(32-47(53-50)39-26-25-33-13-4-5-16-35(33)29-39)38-18-12-17-36(30-38)37-27-28-45-49(31-37)54-48-24-11-10-23-44(48)51(45)42-21-8-6-19-40(42)41-20-7-9-22-43(41)51;1-2-13-30(14-3-1)45-48-41(29-42(49-45)40-22-10-11-26-47-40)33-16-12-15-31(27-33)32-24-25-39-44(28-32)50-43-23-9-8-21-38(43)46(39)36-19-6-4-17-34(36)35-18-5-7-20-37(35)46/h1-36H;2*1-32H;2*1-32H;1-29H
InChIKeyRTACOYKTNZUNMH-UHFFFAOYSA-N
XLogP78.47
TPSA236.09 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms332
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004256.12
LogP ≤ 578.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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

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Related Compounds

4-dibenzofuran-3-yl-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-naphthalen-1-yl-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-naphthalen-2-yl-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;2-phenyl-4-pyridin-2-yl-6-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine
CID 161201573
4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 158557851
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;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 158793161
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
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 162175843
4-dibenzofuran-3-yl-2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 158777118
4-dibenzofuran-3-yl-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine;4-phenyl-6-pyridin-2-yl-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 159725293
2-[3-[4-[6-[6-[4-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)-3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl]-4-phenylnaphthalen-1-yl]-2-phenylpyrimidin-4-yl]-3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl]phenyl]-4-naphthalen-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 166734082
4-dibenzothiophen-3-yl-6-phenyl-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137388664
2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 157349691
2-dibenzothiophen-3-yl-4-[3-[7'-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 155304052
4-naphthalen-1-yl-6-[4-[7'-[4-[4-naphthalen-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-2-phenylpyrimidine
CID 167177909

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The IUPAC name of 4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine (CID 160720326) is 4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine.
What is the SMILES notation for 4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The canonical SMILES for 4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The InChIKey is RTACOYKTNZUNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N2O.C53H32N2O2.C53H32N2OS.2C51H32N2O.C46H29N3O/c1-3-16-37(17-4-1)42-31-32-47(44-23-8-7-22-43(42)44)53-36-52(58-56(59-53)38-18-5-2-6-19-38)41-21-15-20-39(34-41)40-30-33-51-55(35-40)60-54-29-14-13-28-50(54)57(51)48-26-11-9-24-45(48)46-25-10-12-27-49(46)57;1-2-13-33(14-3-1)52-54-46(32-47(55-52)37-25-27-41-40-19-6-10-23-48(40)56-50(41)31-37)36-16-12-15-34(29-36)35-26-28-45-51(30-35)57-49-24-11-9-22-44(49)53(45)42-20-7-4-17-38(42)39-18-5-8-21-43(39)53;1-2-13-33(14-3-1)52-54-46(32-47(55-52)37-25-27-41-40-19-6-11-24-50(40)57-51(41)31-37)36-16-12-15-34(29-36)35-26-28-45-49(30-35)56-48-23-10-9-22-44(48)53(45)42-20-7-4-17-38(42)39-18-5-8-21-43(39)53;1-2-15-34(16-3-1)50-52-46(32-47(53-50)41-23-13-17-33-14-4-5-20-38(33)41)37-19-12-18-35(30-37)36-28-29-45-49(31-36)54-48-27-11-10-26-44(48)51(45)42-24-8-6-21-39(42)40-22-7-9-25-43(40)51;1-2-14-34(15-3-1)50-52-46(32-47(53-50)39-26-25-33-13-4-5-16-35(33)29-39)38-18-12-17-36(30-38)37-27-28-45-49(31-37)54-48-24-11-10-23-44(48)51(45)42-21-8-6-19-40(42)41-20-7-9-22-43(41)51;1-2-13-30(14-3-1)45-48-41(29-42(49-45)40-22-10-11-26-47-40)33-16-12-15-31(27-33)32-24-25-39-44(28-32)50-43-23-9-8-21-38(43)46(39)36-19-6-4-17-34(36)35-18-5-7-20-37(35)46/h1-36H;2*1-32H;2*1-32H;1-29H.
What are the key properties of 4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine has a molecular weight of 4256.12 g/mol, XLogP of 78.47, 25 rotatable bonds, 0 hydrogen bond donors, and 21 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]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-1-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine is sourced from PubChem (CID 160720326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).