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

C211H129N9O6S — CID 157052189

IUPAC4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzofuran-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C59H36N2O2.C53H32N2O2.C53H32N2OS.C46H29N3O/c1-2-13-39(14-3-1)52-36-53(40-29-27-38(28-30-40)43-18-12-19-47-46-17-6-10-23-54(46)63-57(43)47)61-58(60-52)41-31-25-37(26-32-41)42-33-34-56-51(35-42)59(50-22-9-11-24-55(50)62-56)48-20-7-4-15-44(48)45-16-5-8-21-49(45)59;1-2-12-34(13-3-1)46-32-47(37-26-28-41-40-16-6-10-20-48(40)56-51(41)31-37)55-52(54-46)35-24-22-33(23-25-35)36-27-29-50-45(30-36)53(44-19-9-11-21-49(44)57-50)42-17-7-4-14-38(42)39-15-5-8-18-43(39)53;1-2-12-34(13-3-1)46-32-47(37-26-28-41-40-16-6-11-21-50(40)57-51(41)31-37)55-52(54-46)35-24-22-33(23-25-35)36-27-29-49-45(30-36)53(44-19-9-10-20-48(44)56-49)42-17-7-4-14-38(42)39-15-5-8-18-43(39)53;1-2-12-31(13-3-1)41-29-42(40-19-10-11-27-47-40)49-45(48-41)32-23-21-30(22-24-32)33-25-26-44-39(28-33)46(38-18-8-9-20-43(38)50-44)36-16-6-4-14-34(36)35-15-5-7-17-37(35)46/h1-36H;2*1-32H;1-29H
InChIKeyAAILQSUCDMJFHO-UHFFFAOYSA-N
MW2918.48 g/mol
LogP53.68
Rot. Bonds17

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

4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzofuran-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine (PubChem CID 157052189) has the molecular formula C211H129N9O6S and a molecular weight of 2918.48 g/mol. Its IUPAC name is 4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzofuran-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzofuran-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
PubChem CID157052189
Molecular FormulaC211H129N9O6S
Molecular Weight2918.48 g/mol
Exact Mass2915.98
IUPAC Name4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzofuran-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C59H36N2O2.C53H32N2O2.C53H32N2OS.C46H29N3O/c1-2-13-39(14-3-1)52-36-53(40-29-27-38(28-30-40)43-18-12-19-47-46-17-6-10-23-54(46)63-57(43)47)61-58(60-52)41-31-25-37(26-32-41)42-33-34-56-51(35-42)59(50-22-9-11-24-55(50)62-56)48-20-7-4-15-44(48)45-16-5-8-21-49(45)59;1-2-12-34(13-3-1)46-32-47(37-26-28-41-40-16-6-10-20-48(40)56-51(41)31-37)55-52(54-46)35-24-22-33(23-25-35)36-27-29-50-45(30-36)53(44-19-9-11-21-49(44)57-50)42-17-7-4-14-38(42)39-15-5-8-18-43(39)53;1-2-12-34(13-3-1)46-32-47(37-26-28-41-40-16-6-11-21-50(40)57-51(41)31-37)55-52(54-46)35-24-22-33(23-25-35)36-27-29-49-45(30-36)53(44-19-9-10-20-48(44)56-49)42-17-7-4-14-38(42)39-15-5-8-18-43(39)53;1-2-12-31(13-3-1)41-29-42(40-19-10-11-27-47-40)49-45(48-41)32-23-21-30(22-24-32)33-25-26-44-39(28-33)46(38-18-8-9-20-43(38)50-44)36-16-6-4-14-34(36)35-15-5-7-17-37(35)46/h1-36H;2*1-32H;1-29H
InChIKeyAAILQSUCDMJFHO-UHFFFAOYSA-N
XLogP53.68
TPSA179.21 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002918.48
LogP ≤ 553.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzofuran-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine?
The IUPAC name of 4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzofuran-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine (CID 157052189) is 4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzofuran-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzofuran-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine?
The canonical SMILES for 4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzofuran-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccn3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzofuran-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine?
The InChIKey is AAILQSUCDMJFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2O2.C53H32N2O2.C53H32N2OS.C46H29N3O/c1-2-13-39(14-3-1)52-36-53(40-29-27-38(28-30-40)43-18-12-19-47-46-17-6-10-23-54(46)63-57(43)47)61-58(60-52)41-31-25-37(26-32-41)42-33-34-56-51(35-42)59(50-22-9-11-24-55(50)62-56)48-20-7-4-15-44(48)45-16-5-8-21-49(45)59;1-2-12-34(13-3-1)46-32-47(37-26-28-41-40-16-6-10-20-48(40)56-51(41)31-37)55-52(54-46)35-24-22-33(23-25-35)36-27-29-50-45(30-36)53(44-19-9-11-21-49(44)57-50)42-17-7-4-14-38(42)39-15-5-8-18-43(39)53;1-2-12-34(13-3-1)46-32-47(37-26-28-41-40-16-6-11-21-50(40)57-51(41)31-37)55-52(54-46)35-24-22-33(23-25-35)36-27-29-49-45(30-36)53(44-19-9-10-20-48(44)56-49)42-17-7-4-14-38(42)39-15-5-8-18-43(39)53;1-2-12-31(13-3-1)41-29-42(40-19-10-11-27-47-40)49-45(48-41)32-23-21-30(22-24-32)33-25-26-44-39(28-33)46(38-18-8-9-20-43(38)50-44)36-16-6-4-14-34(36)35-15-5-7-17-37(35)46/h1-36H;2*1-32H;1-29H.
What are the key properties of 4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzofuran-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine?
4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzofuran-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine has a molecular weight of 2918.48 g/mol, XLogP of 53.68, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzofuran-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine is sourced from PubChem (CID 157052189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).