2,4-diphenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]pyrimidine;4,6-diphenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-2-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine

C202H124N8O4 — CID 158170938

IUPAC2,4-diphenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]pyrimidine;4,6-diphenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-2-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c34)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)n3)c2)cc1
InChIInChI=1S/3C52H32N2O.C46H28N2O/c1-3-13-33(14-4-1)35-17-11-18-38(29-35)52-53-47(34-15-5-2-6-16-34)32-48(54-52)44-23-12-24-50-51(44)46-31-37(26-28-49(46)55-50)36-25-27-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)45(43)30-36;1-3-13-33(14-4-1)35-17-11-18-38(29-35)48-32-47(34-15-5-2-6-16-34)53-52(54-48)44-23-12-24-50-51(44)46-31-37(26-28-49(46)55-50)36-25-27-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)45(43)30-36;1-3-12-34(13-4-1)47-32-48(54-52(53-47)36-14-5-2-6-15-36)35-24-22-33(23-25-35)39-20-11-21-50-51(39)46-31-38(27-29-49(46)55-50)37-26-28-44-42-18-8-7-16-40(42)41-17-9-10-19-43(41)45(44)30-37;1-3-12-29(13-4-1)41-28-42(30-14-5-2-6-15-30)48-46(47-41)38-20-11-21-44-45(38)40-27-32(23-25-43(40)49-44)31-22-24-37-35-18-8-7-16-33(35)34-17-9-10-19-36(34)39(37)26-31/h3*1-32H;1-28H
InChIKeyFXLCOFWUIDWCAT-UHFFFAOYSA-N
MW2727.27 g/mol
LogP55.02
Rot. Bonds19

About 2,4-diphenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]pyrimidine;4,6-diphenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-2-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine

2,4-diphenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]pyrimidine;4,6-diphenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-2-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine (PubChem CID 158170938) has the molecular formula C202H124N8O4 and a molecular weight of 2727.27 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]pyrimidine;4,6-diphenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-2-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]pyrimidine;4,6-diphenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-2-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine
PubChem CID158170938
Molecular FormulaC202H124N8O4
Molecular Weight2727.27 g/mol
Exact Mass2724.97
IUPAC Name2,4-diphenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]pyrimidine;4,6-diphenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-2-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c34)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)n3)c2)cc1
InChIInChI=1S/3C52H32N2O.C46H28N2O/c1-3-13-33(14-4-1)35-17-11-18-38(29-35)52-53-47(34-15-5-2-6-16-34)32-48(54-52)44-23-12-24-50-51(44)46-31-37(26-28-49(46)55-50)36-25-27-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)45(43)30-36;1-3-13-33(14-4-1)35-17-11-18-38(29-35)48-32-47(34-15-5-2-6-16-34)53-52(54-48)44-23-12-24-50-51(44)46-31-37(26-28-49(46)55-50)36-25-27-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)45(43)30-36;1-3-12-34(13-4-1)47-32-48(54-52(53-47)36-14-5-2-6-15-36)35-24-22-33(23-25-35)39-20-11-21-50-51(39)46-31-38(27-29-49(46)55-50)37-26-28-44-42-18-8-7-16-40(42)41-17-9-10-19-43(41)45(44)30-37;1-3-12-29(13-4-1)41-28-42(30-14-5-2-6-15-30)48-46(47-41)38-20-11-21-44-45(38)40-27-32(23-25-43(40)49-44)31-22-24-37-35-18-8-7-16-33(35)34-17-9-10-19-36(34)39(37)26-31/h3*1-32H;1-28H
InChIKeyFXLCOFWUIDWCAT-UHFFFAOYSA-N
XLogP55.02
TPSA155.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002727.27
LogP ≤ 555.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,4-diphenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]pyrimidine;4,6-diphenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-2-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine with MolForge

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Related Compounds

2,4-diphenyl-6-[4-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine
CID 159717872
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[2-phenyl-6-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]-1,3,5-triazine
CID 163761534
2,4-diphenyl-6-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]pyrimidine;4,6-diphenyl-2-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]pyrimidine;2-[8-(3-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[8-[3-(5-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(4-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 159457867
2-dibenzofuran-1-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198755
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
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-(2-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine;4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidine
CID 157238960
4-(4-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine
CID 121460844
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968
2,4-diphenyl-6-[4-(9-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 135234038
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375
2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 138672004

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]pyrimidine;4,6-diphenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-2-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine?
The IUPAC name of 2,4-diphenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]pyrimidine;4,6-diphenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-2-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine (CID 158170938) is 2,4-diphenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]pyrimidine;4,6-diphenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-2-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]pyrimidine;4,6-diphenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-2-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]pyrimidine;4,6-diphenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-2-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine is c1ccc(-c2cc(-c3ccc(-c4cccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c34)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)n3)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]pyrimidine;4,6-diphenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-2-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine?
The InChIKey is FXLCOFWUIDWCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C52H32N2O.C46H28N2O/c1-3-13-33(14-4-1)35-17-11-18-38(29-35)52-53-47(34-15-5-2-6-16-34)32-48(54-52)44-23-12-24-50-51(44)46-31-37(26-28-49(46)55-50)36-25-27-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)45(43)30-36;1-3-13-33(14-4-1)35-17-11-18-38(29-35)48-32-47(34-15-5-2-6-16-34)53-52(54-48)44-23-12-24-50-51(44)46-31-37(26-28-49(46)55-50)36-25-27-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)45(43)30-36;1-3-12-34(13-4-1)47-32-48(54-52(53-47)36-14-5-2-6-15-36)35-24-22-33(23-25-35)39-20-11-21-50-51(39)46-31-38(27-29-49(46)55-50)37-26-28-44-42-18-8-7-16-40(42)41-17-9-10-19-43(41)45(44)30-37;1-3-12-29(13-4-1)41-28-42(30-14-5-2-6-15-30)48-46(47-41)38-20-11-21-44-45(38)40-27-32(23-25-43(40)49-44)31-22-24-37-35-18-8-7-16-33(35)34-17-9-10-19-36(34)39(37)26-31/h3*1-32H;1-28H.
What are the key properties of 2,4-diphenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]pyrimidine;4,6-diphenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-2-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine?
2,4-diphenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]pyrimidine;4,6-diphenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-2-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine has a molecular weight of 2727.27 g/mol, XLogP of 55.02, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]pyrimidine;4,6-diphenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-2-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine is sourced from PubChem (CID 158170938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).