2-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;methane

C164H109N9O6 — CID 157123347

IUPAC2-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;methane
SMILESC.C.C.c1ccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4ccc5c(c4)oc4ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4ccc5c(c4)oc4ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3cccnc3)nc(-c3cc(-c4ccc5oc6ccc7ccccc7c6c5c4)cc(-c4ccc5oc6ccc7ccccc7c6c5c4)c3)n2)cc1
InChIInChI=1S/C59H35N3O2.2C51H31N3O2.3CH4/c1-2-13-38(14-3-1)51-34-52(48-19-9-8-16-45(48)41-15-10-28-60-35-41)62-59(61-51)44-30-42(39-22-24-53-49(32-39)57-46-17-6-4-11-36(46)20-26-55(57)63-53)29-43(31-44)40-23-25-54-50(33-40)58-47-18-7-5-12-37(47)21-27-56(58)64-54;1-2-10-32(11-3-1)45-30-46(36-13-8-12-33(24-36)37-14-9-23-52-31-37)54-51(53-45)40-26-38(34-19-21-43-41-15-4-6-17-47(41)55-49(43)28-34)25-39(27-40)35-20-22-44-42-16-5-7-18-48(42)56-50(44)29-35;1-2-9-33(10-3-1)45-30-46(34-18-16-32(17-19-34)37-11-8-24-52-31-37)54-51(53-45)40-26-38(35-20-22-43-41-12-4-6-14-47(41)55-49(43)28-35)25-39(27-40)36-21-23-44-42-13-5-7-15-48(42)56-50(44)29-36;;;/h1-35H;2*1-31H;3*1H4
InChIKeyAIFRFJUTSMRNMY-UHFFFAOYSA-N
MW2301.73 g/mol
LogP45.23
Rot. Bonds18

About 2-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;methane

2-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;methane (PubChem CID 157123347) has the molecular formula C164H109N9O6 and a molecular weight of 2301.73 g/mol. Its IUPAC name is 2-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;methane.

Molecular Properties

Compound Name2-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;methane
PubChem CID157123347
Molecular FormulaC164H109N9O6
Molecular Weight2301.73 g/mol
Exact Mass2299.85
IUPAC Name2-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;methane
SMILESC.C.C.c1ccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4ccc5c(c4)oc4ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4ccc5c(c4)oc4ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3cccnc3)nc(-c3cc(-c4ccc5oc6ccc7ccccc7c6c5c4)cc(-c4ccc5oc6ccc7ccccc7c6c5c4)c3)n2)cc1
InChIInChI=1S/C59H35N3O2.2C51H31N3O2.3CH4/c1-2-13-38(14-3-1)51-34-52(48-19-9-8-16-45(48)41-15-10-28-60-35-41)62-59(61-51)44-30-42(39-22-24-53-49(32-39)57-46-17-6-4-11-36(46)20-26-55(57)63-53)29-43(31-44)40-23-25-54-50(33-40)58-47-18-7-5-12-37(47)21-27-56(58)64-54;1-2-10-32(11-3-1)45-30-46(36-13-8-12-33(24-36)37-14-9-23-52-31-37)54-51(53-45)40-26-38(34-19-21-43-41-15-4-6-17-47(41)55-49(43)28-34)25-39(27-40)35-20-22-44-42-16-5-7-18-48(42)56-50(44)29-35;1-2-9-33(10-3-1)45-30-46(34-18-16-32(17-19-34)37-11-8-24-52-31-37)54-51(53-45)40-26-38(35-20-22-43-41-12-4-6-14-47(41)55-49(43)28-35)25-39(27-40)36-21-23-44-42-13-5-7-15-48(42)56-50(44)29-36;;;/h1-35H;2*1-31H;3*1H4
InChIKeyAIFRFJUTSMRNMY-UHFFFAOYSA-N
XLogP45.23
TPSA194.85 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002301.73
LogP ≤ 545.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;methane with MolForge

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Related Compounds

US11780845, Example 1311
CID 155310119
2-[3,5-Di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130261996
4-Dibenzofuran-2-yl-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262041
4-(4-Dibenzofuran-2-ylphenyl)-6-(4-fluorophenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130262060
4-[3,5-Di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262094
4-[3,5-Di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130262098
2-[3,5-Di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130262247
4-[3,5-Di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262591
2-[3,5-Di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130262637
4-Dibenzofuran-2-yl-6-(4-fluorophenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130262688
4-[3,5-Di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130262806
4-(4-Dibenzofuran-2-ylphenyl)-6-(4-fluorophenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130262913

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;methane?
The IUPAC name of 2-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;methane (CID 157123347) is 2-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;methane.
What is the SMILES notation for 2-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;methane?
The canonical SMILES for 2-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;methane is C.C.C.c1ccc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4ccc5c(c4)oc4ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4ccc5c(c4)oc4ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3cccnc3)nc(-c3cc(-c4ccc5oc6ccc7ccccc7c6c5c4)cc(-c4ccc5oc6ccc7ccccc7c6c5c4)c3)n2)cc1.
What is the InChIKey of 2-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;methane?
The InChIKey is AIFRFJUTSMRNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N3O2.2C51H31N3O2.3CH4/c1-2-13-38(14-3-1)51-34-52(48-19-9-8-16-45(48)41-15-10-28-60-35-41)62-59(61-51)44-30-42(39-22-24-53-49(32-39)57-46-17-6-4-11-36(46)20-26-55(57)63-53)29-43(31-44)40-23-25-54-50(33-40)58-47-18-7-5-12-37(47)21-27-56(58)64-54;1-2-10-32(11-3-1)45-30-46(36-13-8-12-33(24-36)37-14-9-23-52-31-37)54-51(53-45)40-26-38(34-19-21-43-41-15-4-6-17-47(41)55-49(43)28-34)25-39(27-40)35-20-22-44-42-16-5-7-18-48(42)56-50(44)29-35;1-2-9-33(10-3-1)45-30-46(34-18-16-32(17-19-34)37-11-8-24-52-31-37)54-51(53-45)40-26-38(35-20-22-43-41-12-4-6-14-47(41)55-49(43)28-35)25-39(27-40)36-21-23-44-42-13-5-7-15-48(42)56-50(44)29-36;;;/h1-35H;2*1-31H;3*1H4.
What are the key properties of 2-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;methane?
2-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;methane has a molecular weight of 2301.73 g/mol, XLogP of 45.23, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;2-[3,5-di(dibenzofuran-3-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;methane is sourced from PubChem (CID 157123347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).