4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine

C165H107N9O3 — CID 159186789

IUPAC4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/2C56H36N4O.C53H35NO/c1-5-15-39(16-6-1)49-35-51(59-55(57-49)41-19-9-3-10-20-41)45-31-44(38-27-25-37(26-28-38)43-29-30-54-48(34-43)47-23-13-14-24-53(47)61-54)32-46(33-45)52-36-50(40-17-7-2-8-18-40)58-56(60-52)42-21-11-4-12-22-42;1-5-15-39(16-6-1)49-35-50(40-17-7-2-8-18-40)58-55(57-49)45-31-44(38-27-25-37(26-28-38)43-29-30-54-48(34-43)47-23-13-14-24-53(47)61-54)32-46(33-45)56-59-51(41-19-9-3-10-20-41)36-52(60-56)42-21-11-4-12-22-42;1-5-15-36(16-6-1)41-27-42(37-17-7-2-8-18-37)30-46(29-41)50-34-45(40-25-26-53-49(33-40)48-23-13-14-24-52(48)55-53)35-51(54-50)47-31-43(38-19-9-3-10-20-38)28-44(32-47)39-21-11-4-12-22-39/h2*1-36H;1-35H
InChIKeyKNOYZZMDMYTLMV-UHFFFAOYSA-N
MW2263.73 g/mol
LogP43.65
Rot. Bonds23

About 4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine

4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine (PubChem CID 159186789) has the molecular formula C165H107N9O3 and a molecular weight of 2263.73 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine
PubChem CID159186789
Molecular FormulaC165H107N9O3
Molecular Weight2263.73 g/mol
Exact Mass2261.85
IUPAC Name4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/2C56H36N4O.C53H35NO/c1-5-15-39(16-6-1)49-35-51(59-55(57-49)41-19-9-3-10-20-41)45-31-44(38-27-25-37(26-28-38)43-29-30-54-48(34-43)47-23-13-14-24-53(47)61-54)32-46(33-45)52-36-50(40-17-7-2-8-18-40)58-56(60-52)42-21-11-4-12-22-42;1-5-15-39(16-6-1)49-35-50(40-17-7-2-8-18-40)58-55(57-49)45-31-44(38-27-25-37(26-28-38)43-29-30-54-48(34-43)47-23-13-14-24-53(47)61-54)32-46(33-45)56-59-51(41-19-9-3-10-20-41)36-52(60-56)42-21-11-4-12-22-42;1-5-15-36(16-6-1)41-27-42(37-17-7-2-8-18-37)30-46(29-41)50-34-45(40-25-26-53-49(33-40)48-23-13-14-24-52(48)55-53)35-51(54-50)47-31-43(38-19-9-3-10-20-38)28-44(32-47)39-21-11-4-12-22-39/h2*1-36H;1-35H
InChIKeyKNOYZZMDMYTLMV-UHFFFAOYSA-N
XLogP43.65
TPSA155.43 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002263.73
LogP ≤ 543.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine with MolForge

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Related Compounds

4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160871906
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583329
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-phenyl-6-(6-phenylnaphthalen-2-yl)pyrimidine
CID 171583494
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583274
4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171583600
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 171583122
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130262495
4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine
CID 154949936
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-2-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583020
4-[3-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 177079224

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine (CID 159186789) is 4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)n2)cc1.
What is the InChIKey of 4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine?
The InChIKey is KNOYZZMDMYTLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H36N4O.C53H35NO/c1-5-15-39(16-6-1)49-35-51(59-55(57-49)41-19-9-3-10-20-41)45-31-44(38-27-25-37(26-28-38)43-29-30-54-48(34-43)47-23-13-14-24-53(47)61-54)32-46(33-45)52-36-50(40-17-7-2-8-18-40)58-56(60-52)42-21-11-4-12-22-42;1-5-15-39(16-6-1)49-35-50(40-17-7-2-8-18-40)58-55(57-49)45-31-44(38-27-25-37(26-28-38)43-29-30-54-48(34-43)47-23-13-14-24-53(47)61-54)32-46(33-45)56-59-51(41-19-9-3-10-20-41)36-52(60-56)42-21-11-4-12-22-42;1-5-15-36(16-6-1)41-27-42(37-17-7-2-8-18-37)30-46(29-41)50-34-45(40-25-26-53-49(33-40)48-23-13-14-24-52(48)55-53)35-51(54-50)47-31-43(38-19-9-3-10-20-38)28-44(32-47)39-21-11-4-12-22-39/h2*1-36H;1-35H.
What are the key properties of 4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine?
4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine has a molecular weight of 2263.73 g/mol, XLogP of 43.65, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 159186789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).