4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine

C196H118N8O9 — CID 162075982

IUPAC4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)cc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)n2)cc1.c1ccc2c(c1)oc1c(-c3ccc(-c4cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)n4)cc3)cccc12
InChIInChI=1S/C58H34N2O3.3C46H28N2O2/c1-4-19-52-44(10-1)47-16-7-13-41(55(47)61-52)35-22-28-38(29-23-35)50-34-51(39-30-24-36(25-31-39)42-14-8-17-48-45-11-2-5-20-53(45)62-56(42)48)60-58(59-50)40-32-26-37(27-33-40)43-15-9-18-49-46-12-3-6-21-54(46)63-57(43)49;1-2-9-33(10-3-1)46-47-40(31-21-17-29(18-22-31)34-25-26-44-39(27-34)37-12-5-6-15-42(37)49-44)28-41(48-46)32-23-19-30(20-24-32)35-13-8-14-38-36-11-4-7-16-43(36)50-45(35)38;1-2-10-33(11-3-1)46-47-40(31-24-20-29(21-25-31)34-14-8-16-38-36-12-4-6-18-42(36)49-44(34)38)28-41(48-46)32-26-22-30(23-27-32)35-15-9-17-39-37-13-5-7-19-43(37)50-45(35)39;1-2-8-33(9-3-1)46-47-40(31-18-14-29(15-19-31)34-22-24-38-36-10-4-6-12-42(36)49-44(38)26-34)28-41(48-46)32-20-16-30(17-21-32)35-23-25-39-37-11-5-7-13-43(37)50-45(39)27-35/h1-34H;3*1-28H
InChIKeyZBSAMYPONJFUCL-UHFFFAOYSA-N
MW2729.15 g/mol
LogP54.01
Rot. Bonds21

About 4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine

4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine (PubChem CID 162075982) has the molecular formula C196H118N8O9 and a molecular weight of 2729.15 g/mol. Its IUPAC name is 4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine
PubChem CID162075982
Molecular FormulaC196H118N8O9
Molecular Weight2729.15 g/mol
Exact Mass2726.90
IUPAC Name4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)cc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)n2)cc1.c1ccc2c(c1)oc1c(-c3ccc(-c4cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)n4)cc3)cccc12
InChIInChI=1S/C58H34N2O3.3C46H28N2O2/c1-4-19-52-44(10-1)47-16-7-13-41(55(47)61-52)35-22-28-38(29-23-35)50-34-51(39-30-24-36(25-31-39)42-14-8-17-48-45-11-2-5-20-53(45)62-56(42)48)60-58(59-50)40-32-26-37(27-33-40)43-15-9-18-49-46-12-3-6-21-54(46)63-57(43)49;1-2-9-33(10-3-1)46-47-40(31-21-17-29(18-22-31)34-25-26-44-39(27-34)37-12-5-6-15-42(37)49-44)28-41(48-46)32-23-19-30(20-24-32)35-13-8-14-38-36-11-4-7-16-43(36)50-45(35)38;1-2-10-33(11-3-1)46-47-40(31-24-20-29(21-25-31)34-14-8-16-38-36-12-4-6-18-42(36)49-44(34)38)28-41(48-46)32-26-22-30(23-27-32)35-15-9-17-39-37-13-5-7-19-43(37)50-45(35)39;1-2-8-33(9-3-1)46-47-40(31-18-14-29(15-19-31)34-22-24-38-36-10-4-6-12-42(36)49-44(38)26-34)28-41(48-46)32-20-16-30(17-21-32)35-23-25-39-37-11-5-7-13-43(37)50-45(39)27-35/h1-34H;3*1-28H
InChIKeyZBSAMYPONJFUCL-UHFFFAOYSA-N
XLogP54.01
TPSA221.38 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002729.15
LogP ≤ 554.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine with MolForge

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Related Compounds

4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine
CID 121460851
2-dibenzofuran-3-yl-4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465665
4-[4-[6-[6-[4-dibenzofuran-4-yl-3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-2-yl]phenyl]-6-[2,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
CID 146254883
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160752497
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 161324987
2-dibenzofuran-3-yl-4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850264
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 158944867
4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-1-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine;4-(4-dibenzofuran-2-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine;4-(4-dibenzofuran-3-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine
CID 160727910
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
4-(4-dibenzofuran-1-ylphenyl)-2,6-diphenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyrimidine;4,6-di(dibenzofuran-3-yl)-2-phenylpyrimidine;4,6-di(dibenzofuran-4-yl)-2-phenylpyrimidine;2,4,6-tri(dibenzofuran-1-yl)pyrimidine;2,4,6-tri(dibenzofuran-2-yl)pyrimidine;2,4,6-tri(dibenzofuran-3-yl)pyrimidine;2,4,6-tri(dibenzofuran-4-yl)pyrimidine
CID 159391384
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 159089395

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine?
The IUPAC name of 4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine (CID 162075982) is 4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine.
What is the SMILES notation for 4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine?
The canonical SMILES for 4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)cc(-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)n2)cc1.c1ccc2c(c1)oc1c(-c3ccc(-c4cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)n4)cc3)cccc12.
What is the InChIKey of 4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine?
The InChIKey is ZBSAMYPONJFUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N2O3.3C46H28N2O2/c1-4-19-52-44(10-1)47-16-7-13-41(55(47)61-52)35-22-28-38(29-23-35)50-34-51(39-30-24-36(25-31-39)42-14-8-17-48-45-11-2-5-20-53(45)62-56(42)48)60-58(59-50)40-32-26-37(27-33-40)43-15-9-18-49-46-12-3-6-21-54(46)63-57(43)49;1-2-9-33(10-3-1)46-47-40(31-21-17-29(18-22-31)34-25-26-44-39(27-34)37-12-5-6-15-42(37)49-44)28-41(48-46)32-23-19-30(20-24-32)35-13-8-14-38-36-11-4-7-16-43(36)50-45(35)38;1-2-10-33(11-3-1)46-47-40(31-24-20-29(21-25-31)34-14-8-16-38-36-12-4-6-18-42(36)49-44(34)38)28-41(48-46)32-26-22-30(23-27-32)35-15-9-17-39-37-13-5-7-19-43(37)50-45(35)39;1-2-8-33(9-3-1)46-47-40(31-18-14-29(15-19-31)34-22-24-38-36-10-4-6-12-42(36)49-44(38)26-34)28-41(48-46)32-20-16-30(17-21-32)35-23-25-39-37-11-5-7-13-43(37)50-45(39)27-35/h1-34H;3*1-28H.
What are the key properties of 4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine?
4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine has a molecular weight of 2729.15 g/mol, XLogP of 54.01, 21 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine is sourced from PubChem (CID 162075982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).