2-dibenzofuran-1-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine

C171H104N6O2S — CID 159873273

IUPAC2-dibenzofuran-1-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-c5ccccc53)c3ccccc3-4)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc6-c6ccccc64)c4ccccc4-5)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc5sc6ccccc6c45)nc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc5-c5ccccc54)n3)c2)cc1
InChIInChI=1S/C59H36N2O.C59H36N2S.C53H32N2O/c1-2-16-37(17-3-1)38-18-14-19-39(34-38)53-36-54(61-58(60-53)48-26-15-31-56-57(48)47-25-9-13-30-55(47)62-56)40-32-33-46-45-24-8-12-29-51(45)59(52(46)35-40)49-27-10-6-22-43(49)41-20-4-5-21-42(41)44-23-7-11-28-50(44)59;1-2-17-37(18-3-1)38-19-14-20-39(35-38)52-36-53(45-27-16-34-55-57(45)46-26-9-13-33-54(46)62-55)61-58(60-52)47-28-15-32-51-56(47)44-25-8-12-31-50(44)59(51)48-29-10-6-23-42(48)40-21-4-5-22-41(40)43-24-7-11-30-49(43)59;1-2-15-33(16-3-1)48-32-49(55-52(54-48)43-24-14-23-42-41-22-9-13-28-50(41)56-51(42)43)34-29-30-40-39-21-8-12-27-46(39)53(47(40)31-34)44-25-10-6-19-37(44)35-17-4-5-18-36(35)38-20-7-11-26-45(38)53/h2*1-36H;1-32H
InChIKeyNSORUUYPRJIXOQ-UHFFFAOYSA-N
MW2306.82 g/mol
LogP43.97
Rot. Bonds11

About 2-dibenzofuran-1-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine

2-dibenzofuran-1-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine (PubChem CID 159873273) has the molecular formula C171H104N6O2S and a molecular weight of 2306.82 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine
PubChem CID159873273
Molecular FormulaC171H104N6O2S
Molecular Weight2306.82 g/mol
Exact Mass2304.79
IUPAC Name2-dibenzofuran-1-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-c5ccccc53)c3ccccc3-4)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc6-c6ccccc64)c4ccccc4-5)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc5sc6ccccc6c45)nc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc5-c5ccccc54)n3)c2)cc1
InChIInChI=1S/C59H36N2O.C59H36N2S.C53H32N2O/c1-2-16-37(17-3-1)38-18-14-19-39(34-38)53-36-54(61-58(60-53)48-26-15-31-56-57(48)47-25-9-13-30-55(47)62-56)40-32-33-46-45-24-8-12-29-51(45)59(52(46)35-40)49-27-10-6-22-43(49)41-20-4-5-21-42(41)44-23-7-11-28-50(44)59;1-2-17-37(18-3-1)38-19-14-20-39(35-38)52-36-53(45-27-16-34-55-57(45)46-26-9-13-33-54(46)62-55)61-58(60-52)47-28-15-32-51-56(47)44-25-8-12-31-50(44)59(51)48-29-10-6-23-42(48)40-21-4-5-22-41(40)43-24-7-11-30-49(43)59;1-2-15-33(16-3-1)48-32-49(55-52(54-48)43-24-14-23-42-41-22-9-13-28-50(41)56-51(42)43)34-29-30-40-39-21-8-12-27-46(39)53(47(40)31-34)44-25-10-6-19-37(44)35-17-4-5-18-36(35)38-20-7-11-26-45(38)53/h2*1-36H;1-32H
InChIKeyNSORUUYPRJIXOQ-UHFFFAOYSA-N
XLogP43.97
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms180
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002306.82
LogP ≤ 543.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-dibenzofuran-1-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine (CID 159873273) is 2-dibenzofuran-1-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine is c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-c5ccccc53)c3ccccc3-4)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc6-c6ccccc64)c4ccccc4-5)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc5sc6ccccc6c45)nc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc5-c5ccccc54)n3)c2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine?
The InChIKey is NSORUUYPRJIXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N2O.C59H36N2S.C53H32N2O/c1-2-16-37(17-3-1)38-18-14-19-39(34-38)53-36-54(61-58(60-53)48-26-15-31-56-57(48)47-25-9-13-30-55(47)62-56)40-32-33-46-45-24-8-12-29-51(45)59(52(46)35-40)49-27-10-6-22-43(49)41-20-4-5-21-42(41)44-23-7-11-28-50(44)59;1-2-17-37(18-3-1)38-19-14-20-39(35-38)52-36-53(45-27-16-34-55-57(45)46-26-9-13-33-54(46)62-55)61-58(60-52)47-28-15-32-51-56(47)44-25-8-12-31-50(44)59(51)48-29-10-6-23-42(48)40-21-4-5-22-41(40)43-24-7-11-30-49(43)59;1-2-15-33(16-3-1)48-32-49(55-52(54-48)43-24-14-23-42-41-22-9-13-28-50(41)56-51(42)43)34-29-30-40-39-21-8-12-27-46(39)53(47(40)31-34)44-25-10-6-19-37(44)35-17-4-5-18-36(35)38-20-7-11-26-45(38)53/h2*1-36H;1-32H.
What are the key properties of 2-dibenzofuran-1-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine?
2-dibenzofuran-1-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine has a molecular weight of 2306.82 g/mol, XLogP of 43.97, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;2-dibenzofuran-4-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine;4-dibenzothiophen-1-yl-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine is sourced from PubChem (CID 159873273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).