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

C152H93N7O4S — CID 158793161

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;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
SMILESc1ccc(-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(-c3ccccn3)n2)cc1
InChIInChI=1S/C53H32N2O2.C53H32N2OS.C46H29N3O/c1-2-14-33(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;1-2-14-30(15-3-1)45-48-41(29-42(49-45)40-25-10-11-27-47-40)32-17-12-16-31(28-32)33-20-13-24-39-44(33)50-43-26-9-8-23-38(43)46(39)36-21-6-4-18-34(36)35-19-5-7-22-37(35)46/h2*1-32H;1-29H
InChIKeyISNMRAUTYYJRLZ-UHFFFAOYSA-N
MW2113.53 g/mol
LogP38.50
Rot. Bonds12

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;2-phenyl-4-pyridin-2-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;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine (PubChem CID 158793161) has the molecular formula C152H93N7O4S and a molecular weight of 2113.53 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;2-phenyl-4-pyridin-2-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;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
PubChem CID158793161
Molecular FormulaC152H93N7O4S
Molecular Weight2113.53 g/mol
Exact Mass2111.70
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;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
SMILESc1ccc(-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(-c3ccccn3)n2)cc1
InChIInChI=1S/C53H32N2O2.C53H32N2OS.C46H29N3O/c1-2-14-33(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;1-2-14-30(15-3-1)45-48-41(29-42(49-45)40-25-10-11-27-47-40)32-17-12-16-31(28-32)33-20-13-24-39-44(33)50-43-26-9-8-23-38(43)46(39)36-21-6-4-18-34(36)35-19-5-7-22-37(35)46/h2*1-32H;1-29H
InChIKeyISNMRAUTYYJRLZ-UHFFFAOYSA-N
XLogP38.50
TPSA131.06 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002113.53
LogP ≤ 538.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Related Compounds

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
2,4-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-(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
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]-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
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
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
4-dibenzothiophen-3-yl-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 137388531
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
2-phenyl-4-[9-[4'-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]dibenzothiophen-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 167177893
4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378916
4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388774

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;2-phenyl-4-pyridin-2-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;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine (CID 158793161) 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;2-phenyl-4-pyridin-2-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;2-phenyl-4-pyridin-2-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;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine is 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(-c3ccccn3)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;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine?
The InChIKey is ISNMRAUTYYJRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O2.C53H32N2OS.C46H29N3O/c1-2-14-33(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;1-2-14-30(15-3-1)45-48-41(29-42(49-45)40-25-10-11-27-47-40)32-17-12-16-31(28-32)33-20-13-24-39-44(33)50-43-26-9-8-23-38(43)46(39)36-21-6-4-18-34(36)35-19-5-7-22-37(35)46/h2*1-32H;1-29H.
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;2-phenyl-4-pyridin-2-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;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine has a molecular weight of 2113.53 g/mol, XLogP of 38.50, 12 rotatable bonds, 0 hydrogen bond donors, and 12 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;2-phenyl-4-pyridin-2-yl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine is sourced from PubChem (CID 158793161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).