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

C158H97N7O4S — CID 157087430

IUPAC4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C59H36N2O2.C53H32N2OS.C46H29N3O/c1-2-13-41(14-3-1)58-60-52(36-53(61-58)40-31-27-38(28-32-40)43-18-12-19-47-46-17-6-10-23-54(46)63-57(43)47)39-29-25-37(26-30-39)42-33-34-51-56(35-42)62-55-24-11-9-22-50(55)59(51)48-20-7-4-15-44(48)45-16-5-8-21-49(45)59;1-2-12-35(13-3-1)52-54-46(32-47(55-52)37-26-28-41-40-16-6-11-21-50(40)57-51(41)31-37)34-24-22-33(23-25-34)36-27-29-45-49(30-36)56-48-20-10-9-19-44(48)53(45)42-17-7-4-14-38(42)39-15-5-8-18-43(39)53;1-2-12-32(13-3-1)45-48-41(29-42(49-45)40-19-10-11-27-47-40)31-23-21-30(22-24-31)33-25-26-39-44(28-33)50-43-20-9-8-18-38(43)46(39)36-16-6-4-14-34(36)35-15-5-7-17-37(35)46/h1-36H;1-32H;1-29H
InChIKeyAEGHXBNTGMEVJG-UHFFFAOYSA-N
MW2189.63 g/mol
LogP40.17
Rot. Bonds13

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

4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine (PubChem CID 157087430) has the molecular formula C158H97N7O4S and a molecular weight of 2189.63 g/mol. Its IUPAC name is 4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
PubChem CID157087430
Molecular FormulaC158H97N7O4S
Molecular Weight2189.63 g/mol
Exact Mass2187.73
IUPAC Name4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C59H36N2O2.C53H32N2OS.C46H29N3O/c1-2-13-41(14-3-1)58-60-52(36-53(61-58)40-31-27-38(28-32-40)43-18-12-19-47-46-17-6-10-23-54(46)63-57(43)47)39-29-25-37(26-30-39)42-33-34-51-56(35-42)62-55-24-11-9-22-50(55)59(51)48-20-7-4-15-44(48)45-16-5-8-21-49(45)59;1-2-12-35(13-3-1)52-54-46(32-47(55-52)37-26-28-41-40-16-6-11-21-50(40)57-51(41)31-37)34-24-22-33(23-25-34)36-27-29-45-49(30-36)56-48-20-10-9-19-44(48)53(45)42-17-7-4-14-38(42)39-15-5-8-18-43(39)53;1-2-12-32(13-3-1)45-48-41(29-42(49-45)40-19-10-11-27-47-40)31-23-21-30(22-24-31)33-25-26-39-44(28-33)50-43-20-9-8-18-38(43)46(39)36-16-6-4-14-34(36)35-15-5-7-17-37(35)46/h1-36H;1-32H;1-29H
InChIKeyAEGHXBNTGMEVJG-UHFFFAOYSA-N
XLogP40.17
TPSA131.06 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002189.63
LogP ≤ 540.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The IUPAC name of 4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine (CID 157087430) is 4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The canonical SMILES for 4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)cc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The InChIKey is AEGHXBNTGMEVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2O2.C53H32N2OS.C46H29N3O/c1-2-13-41(14-3-1)58-60-52(36-53(61-58)40-31-27-38(28-32-40)43-18-12-19-47-46-17-6-10-23-54(46)63-57(43)47)39-29-25-37(26-30-39)42-33-34-51-56(35-42)62-55-24-11-9-22-50(55)59(51)48-20-7-4-15-44(48)45-16-5-8-21-49(45)59;1-2-12-35(13-3-1)52-54-46(32-47(55-52)37-26-28-41-40-16-6-11-21-50(40)57-51(41)31-37)34-24-22-33(23-25-34)36-27-29-45-49(30-36)56-48-20-10-9-19-44(48)53(45)42-17-7-4-14-38(42)39-15-5-8-18-43(39)53;1-2-12-32(13-3-1)45-48-41(29-42(49-45)40-19-10-11-27-47-40)31-23-21-30(22-24-31)33-25-26-39-44(28-33)50-43-20-9-8-18-38(43)46(39)36-16-6-4-14-34(36)35-15-5-7-17-37(35)46/h1-36H;1-32H;1-29H.
What are the key properties of 4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine has a molecular weight of 2189.63 g/mol, XLogP of 40.17, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-dibenzothiophen-3-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;2-phenyl-4-pyridin-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine is sourced from PubChem (CID 157087430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).