4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

C179H110N16O5S2 — CID 159916912

About 4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 159916912) has the molecular formula C179H110N16O5S2 and a molecular weight of 2629.09 g/mol. Its IUPAC name is 4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
• PubChem CID: 159916912
• Molecular Formula: C179H110N16O5S2
• Molecular Weight: 2629.09 g/mol
• Exact Mass: 2626.83
• IUPAC Name: 4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
• SMILES: CC1(C)c2ccccc2-c2c(-c3ccc4oc5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)nc(-c3ccccc3)nc21.c1ccc(-c2cc(-c3cccc4oc5ccc(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)cc5c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)cc5c34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)cc5c34)n2)cc1
• InChI: InChI=1S/C47H32N4O.C44H26N4O2.2C44H26N4OS/c1-47(2)36-23-13-12-21-33(36)42-43(50-46(51-44(42)47)31-19-10-5-11-20-31)32-25-26-39-35(27-32)41-34(22-14-24-40(41)52-39)38-28-37(29-15-6-3-7-16-29)48-45(49-38)30-17-8-4-9-18-30;1-4-13-27(14-5-1)34-26-35(28-15-6-2-7-16-28)46-44(45-34)32-20-12-22-38-39(32)33-25-30(23-24-37(33)49-38)40-42-41(31-19-10-11-21-36(31)50-42)48-43(47-40)29-17-8-3-9-18-29;1-4-13-27(14-5-1)34-26-35(46-43(45-34)29-17-8-3-9-18-29)31-20-12-21-37-39(31)33-25-30(23-24-36(33)49-37)44-47-40(28-15-6-2-7-16-28)42-41(48-44)32-19-10-11-22-38(32)50-42;1-4-13-27(14-5-1)34-26-35(28-15-6-2-7-16-28)46-44(45-34)32-20-12-22-38-39(32)33-25-30(23-24-37(33)50-38)40-42-41(31-19-10-11-21-36(31)49-42)48-43(47-40)29-17-8-3-9-18-29/h3-28H,1-2H3;3*1-26H
• InChIKey: NXWZQCZQLOUTFZ-UHFFFAOYSA-N
• XLogP: 46.95
• TPSA: 271.94 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2629.09
LogP ≤ 5	46.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?

The IUPAC name of 4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 159916912) is 4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.

What is the SMILES notation for 4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?

The canonical SMILES for 4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is CC1(C)c2ccccc2-c2c(-c3ccc4oc5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)nc(-c3ccccc3)nc21.c1ccc(-c2cc(-c3cccc4oc5ccc(-c6nc(-c7ccccc7)c7sc8ccccc8c7n6)cc5c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)cc5c34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)cc5c34)n2)cc1.

What is the InChIKey of 4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?

The InChIKey is NXWZQCZQLOUTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4O.C44H26N4O2.2C44H26N4OS/c1-47(2)36-23-13-12-21-33(36)42-43(50-46(51-44(42)47)31-19-10-5-11-20-31)32-25-26-39-35(27-32)41-34(22-14-24-40(41)52-39)38-28-37(29-15-6-3-7-16-29)48-45(49-38)30-17-8-4-9-18-30;1-4-13-27(14-5-1)34-26-35(28-15-6-2-7-16-28)46-44(45-34)32-20-12-22-38-39(32)33-25-30(23-24-37(33)49-38)40-42-41(31-19-10-11-21-36(31)50-42)48-43(47-40)29-17-8-3-9-18-29;1-4-13-27(14-5-1)34-26-35(46-43(45-34)29-17-8-3-9-18-29)31-20-12-21-37-39(31)33-25-30(23-24-36(33)49-37)44-47-40(28-15-6-2-7-16-28)42-41(48-44)32-19-10-11-22-38(32)50-42;1-4-13-27(14-5-1)34-26-35(28-15-6-2-7-16-28)46-44(45-34)32-20-12-22-38-39(32)33-25-30(23-24-37(33)50-38)40-42-41(31-19-10-11-21-36(31)49-42)48-43(47-40)29-17-8-3-9-18-29/h3-28H,1-2H3;3*1-26H.

What are the key properties of 4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?

4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 2629.09 g/mol, XLogP of 46.95, 20 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 159916912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).