4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine

C248H146N8O12 — CID 159701721

IUPAC4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1
InChIInChI=1S/2C70H40N2O4.C58H34N2O3.C50H32N2O/c1-2-16-41(17-3-1)70-71-60(46-36-42(48-22-12-26-56-52-18-4-8-30-62(52)73-66(48)56)34-43(37-46)49-23-13-27-57-53-19-5-9-31-63(53)74-67(49)57)40-61(72-70)47-38-44(50-24-14-28-58-54-20-6-10-32-64(54)75-68(50)58)35-45(39-47)51-25-15-29-59-55-21-7-11-33-65(55)76-69(51)59;1-2-12-41(13-3-1)70-71-60(50-32-46(42-22-26-66-56(36-42)52-14-4-8-18-62(52)73-66)30-47(33-50)43-23-27-67-57(37-43)53-15-5-9-19-63(53)74-67)40-61(72-70)51-34-48(44-24-28-68-58(38-44)54-16-6-10-20-64(54)75-68)31-49(35-51)45-25-29-69-59(39-45)55-17-7-11-21-65(55)76-69;1-2-13-37(14-3-1)58-59-50(36-29-27-35(28-30-36)41-18-10-21-47-44-15-4-7-24-52(44)61-55(41)47)34-51(60-58)40-32-38(42-19-11-22-48-45-16-5-8-25-53(45)62-56(42)48)31-39(33-40)43-20-12-23-49-46-17-6-9-26-54(46)63-57(43)49;1-2-10-38(11-3-1)46-32-47(39-25-23-37(24-26-39)43-15-8-12-36-9-4-5-13-42(36)43)52-50(51-46)40-27-21-34(22-28-40)33-17-19-35(20-18-33)41-29-30-49-45(31-41)44-14-6-7-16-48(44)53-49/h2*1-40H;1-34H;1-32H
InChIKeyMXRZBVVUGMGXTF-UHFFFAOYSA-N
MW3429.94 g/mol
LogP69.19
Rot. Bonds26

About 4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine

4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine (PubChem CID 159701721) has the molecular formula C248H146N8O12 and a molecular weight of 3429.94 g/mol. Its IUPAC name is 4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
PubChem CID159701721
Molecular FormulaC248H146N8O12
Molecular Weight3429.94 g/mol
Exact Mass3427.11
IUPAC Name4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1
InChIInChI=1S/2C70H40N2O4.C58H34N2O3.C50H32N2O/c1-2-16-41(17-3-1)70-71-60(46-36-42(48-22-12-26-56-52-18-4-8-30-62(52)73-66(48)56)34-43(37-46)49-23-13-27-57-53-19-5-9-31-63(53)74-67(49)57)40-61(72-70)47-38-44(50-24-14-28-58-54-20-6-10-32-64(54)75-68(50)58)35-45(39-47)51-25-15-29-59-55-21-7-11-33-65(55)76-69(51)59;1-2-12-41(13-3-1)70-71-60(50-32-46(42-22-26-66-56(36-42)52-14-4-8-18-62(52)73-66)30-47(33-50)43-23-27-67-57(37-43)53-15-5-9-19-63(53)74-67)40-61(72-70)51-34-48(44-24-28-68-58(38-44)54-16-6-10-20-64(54)75-68)31-49(35-51)45-25-29-69-59(39-45)55-17-7-11-21-65(55)76-69;1-2-13-37(14-3-1)58-59-50(36-29-27-35(28-30-36)41-18-10-21-47-44-15-4-7-24-52(44)61-55(41)47)34-51(60-58)40-32-38(42-19-11-22-48-45-16-5-8-25-53(45)62-56(42)48)31-39(33-40)43-20-12-23-49-46-17-6-9-26-54(46)63-57(43)49;1-2-10-38(11-3-1)46-32-47(39-25-23-37(24-26-39)43-15-8-12-36-9-4-5-13-42(36)43)52-50(51-46)40-27-21-34(22-28-40)33-17-19-35(20-18-33)41-29-30-49-45(31-41)44-14-6-7-16-48(44)53-49/h2*1-40H;1-34H;1-32H
InChIKeyMXRZBVVUGMGXTF-UHFFFAOYSA-N
XLogP69.19
TPSA260.80 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms268
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003429.94
LogP ≤ 569.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine with MolForge

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Related Compounds

4-[3,5-di(dibenzofuran-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 160528168
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
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160752497
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-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583274
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583329
4-dibenzofuran-2-yl-6-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171584969
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
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 160739724
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-6-(2,5-diphenylphenyl)-2-phenylpyrimidine
CID 171585617
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
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 171583506

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine?
The IUPAC name of 4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine (CID 159701721) is 4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine.
What is the SMILES notation for 4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine?
The canonical SMILES for 4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine is c1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.
What is the InChIKey of 4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine?
The InChIKey is MXRZBVVUGMGXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C70H40N2O4.C58H34N2O3.C50H32N2O/c1-2-16-41(17-3-1)70-71-60(46-36-42(48-22-12-26-56-52-18-4-8-30-62(52)73-66(48)56)34-43(37-46)49-23-13-27-57-53-19-5-9-31-63(53)74-67(49)57)40-61(72-70)47-38-44(50-24-14-28-58-54-20-6-10-32-64(54)75-68(50)58)35-45(39-47)51-25-15-29-59-55-21-7-11-33-65(55)76-69(51)59;1-2-12-41(13-3-1)70-71-60(50-32-46(42-22-26-66-56(36-42)52-14-4-8-18-62(52)73-66)30-47(33-50)43-23-27-67-57(37-43)53-15-5-9-19-63(53)74-67)40-61(72-70)51-34-48(44-24-28-68-58(38-44)54-16-6-10-20-64(54)75-68)31-49(35-51)45-25-29-69-59(39-45)55-17-7-11-21-65(55)76-69;1-2-13-37(14-3-1)58-59-50(36-29-27-35(28-30-36)41-18-10-21-47-44-15-4-7-24-52(44)61-55(41)47)34-51(60-58)40-32-38(42-19-11-22-48-45-16-5-8-25-53(45)62-56(42)48)31-39(33-40)43-20-12-23-49-46-17-6-9-26-54(46)63-57(43)49;1-2-10-38(11-3-1)46-32-47(39-25-23-37(24-26-39)43-15-8-12-36-9-4-5-13-42(36)43)52-50(51-46)40-27-21-34(22-28-40)33-17-19-35(20-18-33)41-29-30-49-45(31-41)44-14-6-7-16-48(44)53-49/h2*1-40H;1-34H;1-32H.
What are the key properties of 4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine?
4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine has a molecular weight of 3429.94 g/mol, XLogP of 69.19, 26 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine is sourced from PubChem (CID 159701721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).