4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine

C340H212N12O6 — CID 159177432

IUPAC4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc3)nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc3)nc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)nc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1
InChIInChI=1S/4C58H36N2O.2C54H34N2O/c1-2-11-41(12-3-1)54-36-55(42-29-23-38(24-30-42)37-21-27-40(28-22-37)45-18-10-19-52-51-17-8-9-20-56(51)61-57(45)52)60-58(59-54)43-31-25-39(26-32-43)44-33-34-50-48-15-5-4-13-46(48)47-14-6-7-16-49(47)53(50)35-44;1-2-11-41(12-3-1)53-36-54(42-29-23-38(24-30-42)37-21-27-40(28-22-37)45-18-10-20-56-57(45)51-17-8-9-19-55(51)61-56)60-58(59-53)43-31-25-39(26-32-43)44-33-34-50-48-15-5-4-13-46(48)47-14-6-7-16-49(47)52(50)35-44;1-2-10-41(11-3-1)54-36-55(42-26-22-38(23-27-42)37-18-20-40(21-19-37)45-31-33-52-51-16-8-9-17-56(51)61-57(52)35-45)60-58(59-54)43-28-24-39(25-29-43)44-30-32-50-48-14-5-4-12-46(48)47-13-6-7-15-49(47)53(50)34-44;1-2-10-41(11-3-1)54-36-55(42-26-22-38(23-27-42)37-18-20-39(21-19-37)45-31-33-57-53(35-45)51-16-8-9-17-56(51)61-57)60-58(59-54)43-28-24-40(25-29-43)44-30-32-50-48-14-5-4-12-46(48)47-13-6-7-15-49(47)52(50)34-44;1-2-12-38(13-3-1)50-34-51(56-54(55-50)42-16-10-15-40(32-42)49-33-41-14-4-5-17-43(41)45-18-6-7-19-46(45)49)39-30-26-36(27-31-39)35-24-28-37(29-25-35)44-21-11-22-48-47-20-8-9-23-52(47)57-53(44)48;1-2-11-38(12-3-1)50-34-51(56-54(55-50)43-15-10-14-41(31-43)49-32-42-13-4-5-16-44(42)45-17-6-7-18-46(45)49)39-27-25-36(26-28-39)35-21-23-37(24-22-35)40-29-30-48-47-19-8-9-20-52(47)57-53(48)33-40/h4*1-36H;2*1-34H
InChIKeyKMLNDCTVIKXUSZ-UHFFFAOYSA-N
MW4561.51 g/mol
LogP92.72
Rot. Bonds36

About 4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine

4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine (PubChem CID 159177432) has the molecular formula C340H212N12O6 and a molecular weight of 4561.51 g/mol. Its IUPAC name is 4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine
PubChem CID159177432
Molecular FormulaC340H212N12O6
Molecular Weight4561.51 g/mol
Exact Mass4557.67
IUPAC Name4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc3)nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc3)nc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)nc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1
InChIInChI=1S/4C58H36N2O.2C54H34N2O/c1-2-11-41(12-3-1)54-36-55(42-29-23-38(24-30-42)37-21-27-40(28-22-37)45-18-10-19-52-51-17-8-9-20-56(51)61-57(45)52)60-58(59-54)43-31-25-39(26-32-43)44-33-34-50-48-15-5-4-13-46(48)47-14-6-7-16-49(47)53(50)35-44;1-2-11-41(12-3-1)53-36-54(42-29-23-38(24-30-42)37-21-27-40(28-22-37)45-18-10-20-56-57(45)51-17-8-9-19-55(51)61-56)60-58(59-53)43-31-25-39(26-32-43)44-33-34-50-48-15-5-4-13-46(48)47-14-6-7-16-49(47)52(50)35-44;1-2-10-41(11-3-1)54-36-55(42-26-22-38(23-27-42)37-18-20-40(21-19-37)45-31-33-52-51-16-8-9-17-56(51)61-57(52)35-45)60-58(59-54)43-28-24-39(25-29-43)44-30-32-50-48-14-5-4-12-46(48)47-13-6-7-15-49(47)53(50)34-44;1-2-10-41(11-3-1)54-36-55(42-26-22-38(23-27-42)37-18-20-39(21-19-37)45-31-33-57-53(35-45)51-16-8-9-17-56(51)61-57)60-58(59-54)43-28-24-40(25-29-43)44-30-32-50-48-14-5-4-12-46(48)47-13-6-7-15-49(47)52(50)34-44;1-2-12-38(13-3-1)50-34-51(56-54(55-50)42-16-10-15-40(32-42)49-33-41-14-4-5-17-43(41)45-18-6-7-19-46(45)49)39-30-26-36(27-31-39)35-24-28-37(29-25-35)44-21-11-22-48-47-20-8-9-23-52(47)57-53(44)48;1-2-11-38(12-3-1)50-34-51(56-54(55-50)43-15-10-14-41(31-43)49-32-42-13-4-5-16-44(42)45-17-6-7-18-46(45)49)39-27-25-36(26-28-39)35-21-23-37(24-22-35)40-29-30-48-47-19-8-9-20-52(47)57-53(48)33-40/h4*1-36H;2*1-34H
InChIKeyKMLNDCTVIKXUSZ-UHFFFAOYSA-N
XLogP92.72
TPSA233.52 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds36
Heavy Atoms358
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004561.51
LogP ≤ 592.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine with MolForge

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Related Compounds

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
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-(4-dibenzofuran-1-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine;4-(4-dibenzofuran-3-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine
CID 158640831
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
2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 159915324
2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 167655818
4-(2-dibenzofuran-1-ylphenyl)-2,6-diphenylpyrimidine;4-(2-dibenzofuran-2-ylphenyl)-2,6-diphenylpyrimidine;4-(2-dibenzofuran-3-ylphenyl)-2,6-diphenylpyrimidine;4-(2-dibenzofuran-4-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-2-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-3-ylphenyl)-2,6-diphenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-2,6-diphenylpyrimidine
CID 159208053
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
4-(4-dibenzofuran-1-ylphenyl)-6-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583737
1-(4-triphenylen-2-ylphenyl)dibenzofuran;2-(4-triphenylen-2-ylphenyl)dibenzofuran;3-(3-triphenylen-2-ylphenyl)dibenzofuran;3-(4-triphenylen-2-ylphenyl)dibenzofuran;4-(4-triphenylen-2-ylphenyl)dibenzofuran
CID 160897706
2-dibenzofuran-1-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 162117042
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine?
The IUPAC name of 4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine (CID 159177432) is 4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc3)nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc3)nc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)nc(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1.
What is the InChIKey of 4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine?
The InChIKey is KMLNDCTVIKXUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C58H36N2O.2C54H34N2O/c1-2-11-41(12-3-1)54-36-55(42-29-23-38(24-30-42)37-21-27-40(28-22-37)45-18-10-19-52-51-17-8-9-20-56(51)61-57(45)52)60-58(59-54)43-31-25-39(26-32-43)44-33-34-50-48-15-5-4-13-46(48)47-14-6-7-16-49(47)53(50)35-44;1-2-11-41(12-3-1)53-36-54(42-29-23-38(24-30-42)37-21-27-40(28-22-37)45-18-10-20-56-57(45)51-17-8-9-19-55(51)61-56)60-58(59-53)43-31-25-39(26-32-43)44-33-34-50-48-15-5-4-13-46(48)47-14-6-7-16-49(47)52(50)35-44;1-2-10-41(11-3-1)54-36-55(42-26-22-38(23-27-42)37-18-20-40(21-19-37)45-31-33-52-51-16-8-9-17-56(51)61-57(52)35-45)60-58(59-54)43-28-24-39(25-29-43)44-30-32-50-48-14-5-4-12-46(48)47-13-6-7-15-49(47)53(50)34-44;1-2-10-41(11-3-1)54-36-55(42-26-22-38(23-27-42)37-18-20-39(21-19-37)45-31-33-57-53(35-45)51-16-8-9-17-56(51)61-57)60-58(59-54)43-28-24-40(25-29-43)44-30-32-50-48-14-5-4-12-46(48)47-13-6-7-15-49(47)52(50)34-44;1-2-12-38(13-3-1)50-34-51(56-54(55-50)42-16-10-15-40(32-42)49-33-41-14-4-5-17-43(41)45-18-6-7-19-46(45)49)39-30-26-36(27-31-39)35-24-28-37(29-25-35)44-21-11-22-48-47-20-8-9-23-52(47)57-53(44)48;1-2-11-38(12-3-1)50-34-51(56-54(55-50)43-15-10-14-41(31-43)49-32-42-13-4-5-16-44(42)45-17-6-7-18-46(45)49)39-27-25-36(26-28-39)35-21-23-37(24-22-35)40-29-30-48-47-19-8-9-20-52(47)57-53(48)33-40/h4*1-36H;2*1-34H.
What are the key properties of 4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine?
4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine has a molecular weight of 4561.51 g/mol, XLogP of 92.72, 36 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidine is sourced from PubChem (CID 159177432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).