4,6-di(dibenzofuran-3-yl)-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzofuran-3-yl)-2-(3-phenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine

C131H79N7O4S2 — CID 160781229

About 4,6-di(dibenzofuran-3-yl)-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzofuran-3-yl)-2-(3-phenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine

4,6-di(dibenzofuran-3-yl)-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzofuran-3-yl)-2-(3-phenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine (PubChem CID 160781229) has the molecular formula C131H79N7O4S2 and a molecular weight of 1879.25 g/mol. Its IUPAC name is 4,6-di(dibenzofuran-3-yl)-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzofuran-3-yl)-2-(3-phenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 4,6-di(dibenzofuran-3-yl)-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzofuran-3-yl)-2-(3-phenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
• PubChem CID: 160781229
• Molecular Formula: C131H79N7O4S2
• Molecular Weight: 1879.25 g/mol
• Exact Mass: 1877.56
• IUPAC Name: 4,6-di(dibenzofuran-3-yl)-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzofuran-3-yl)-2-(3-phenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4ccc5c(c4)sc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccc6c(c5)oc5ccccc56)cc(-c5ccc6c(c5)oc5ccccc56)n4)c3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)cc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1
• InChI: InChI=1S/C46H28N2O2.C45H27N3S2.C40H24N2O2/c1-2-10-29(11-3-1)30-12-8-13-31(24-30)32-14-9-15-35(25-32)46-47-40(33-20-22-38-36-16-4-6-18-42(36)49-44(38)26-33)28-41(48-46)34-21-23-39-37-17-5-7-19-43(37)50-45(39)27-34;1-3-11-28(12-4-1)32-23-33(29-13-5-2-6-14-29)25-34(24-32)45-47-43(30-19-21-37-35-15-7-9-17-39(35)49-41(37)26-30)46-44(48-45)31-20-22-38-36-16-8-10-18-40(36)50-42(38)27-31;1-2-9-25(10-3-1)26-11-8-12-29(21-26)40-41-34(27-17-19-32-30-13-4-6-15-36(30)43-38(32)22-27)24-35(42-40)28-18-20-33-31-14-5-7-16-37(31)44-39(33)23-28/h1-28H;1-27H;1-24H
• InChIKey: SAPIKPVRQDVRQS-UHFFFAOYSA-N
• XLogP: 36.50
• TPSA: 142.79 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1879.25
LogP ≤ 5	36.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4,6-di(dibenzofuran-3-yl)-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzofuran-3-yl)-2-(3-phenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine?

The IUPAC name of 4,6-di(dibenzofuran-3-yl)-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzofuran-3-yl)-2-(3-phenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine (CID 160781229) is 4,6-di(dibenzofuran-3-yl)-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzofuran-3-yl)-2-(3-phenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 4,6-di(dibenzofuran-3-yl)-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzofuran-3-yl)-2-(3-phenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine?

The canonical SMILES for 4,6-di(dibenzofuran-3-yl)-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzofuran-3-yl)-2-(3-phenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4ccc5c(c4)sc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccc6c(c5)oc5ccccc56)cc(-c5ccc6c(c5)oc5ccccc56)n4)c3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)cc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1.

What is the InChIKey of 4,6-di(dibenzofuran-3-yl)-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzofuran-3-yl)-2-(3-phenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine?

The InChIKey is SAPIKPVRQDVRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O2.C45H27N3S2.C40H24N2O2/c1-2-10-29(11-3-1)30-12-8-13-31(24-30)32-14-9-15-35(25-32)46-47-40(33-20-22-38-36-16-4-6-18-42(36)49-44(38)26-33)28-41(48-46)34-21-23-39-37-17-5-7-19-43(37)50-45(39)27-34;1-3-11-28(12-4-1)32-23-33(29-13-5-2-6-14-29)25-34(24-32)45-47-43(30-19-21-37-35-15-7-9-17-39(35)49-41(37)26-30)46-44(48-45)31-20-22-38-36-16-8-10-18-40(36)50-42(38)27-31;1-2-9-25(10-3-1)26-11-8-12-29(21-26)40-41-34(27-17-19-32-30-13-4-6-15-36(30)43-38(32)22-27)24-35(42-40)28-18-20-33-31-14-5-7-16-37(31)44-39(33)23-28/h1-28H;1-27H;1-24H.

What are the key properties of 4,6-di(dibenzofuran-3-yl)-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzofuran-3-yl)-2-(3-phenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine?

4,6-di(dibenzofuran-3-yl)-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzofuran-3-yl)-2-(3-phenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine has a molecular weight of 1879.25 g/mol, XLogP of 36.50, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-di(dibenzofuran-3-yl)-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzofuran-3-yl)-2-(3-phenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 160781229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).