9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzothiazole

C174H110N18O2S2 — CID 157097502

About 9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzothiazole

9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzothiazole (PubChem CID 157097502) has the molecular formula C174H110N18O2S2 and a molecular weight of 2549.05 g/mol. Its IUPAC name is 9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzothiazole.

Molecular Properties

• Compound Name: 9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzothiazole
• PubChem CID: 157097502
• Molecular Formula: C174H110N18O2S2
• Molecular Weight: 2549.05 g/mol
• Exact Mass: 2546.85
• IUPAC Name: 9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzothiazole
• SMILES: c1ccc(-c2ccc3oc4nc5ccc(-c6c(-c7ccccc7)cc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6-c6ccccc6)cc5n4c3c2)cc1.c1ccc(-c2ccc3oc4nc5ccc(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6-c6ccccc6)cc5n4c3c2)cc1.c1ccc(-c2ccc3sc4nc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5n4c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc6sc7ccccc7n6c5c4)cc3)n2)cc1
• InChI: InChI=1S/C53H34N4O.C47H30N4O.C40H25N5S.C34H21N5S/c1-6-16-35(17-7-1)40-27-29-50-49(32-40)57-48-33-41(26-28-45(48)56-53(57)58-50)51-43(36-18-8-2-9-19-36)30-42(31-44(51)37-20-10-3-11-21-37)47-34-46(38-22-12-4-13-23-38)54-52(55-47)39-24-14-5-15-25-39;1-5-13-31(14-6-1)35-23-26-45-44(28-35)51-43-29-36(22-25-40(43)50-47(51)52-45)38-24-21-37(27-39(38)32-15-7-2-8-16-32)42-30-41(33-17-9-3-10-18-33)48-46(49-42)34-19-11-4-12-20-34;1-4-10-26(11-5-1)32-21-23-36-35(25-32)45-34-24-31(20-22-33(34)41-40(45)46-36)27-16-18-30(19-17-27)39-43-37(28-12-6-2-7-13-28)42-38(44-39)29-14-8-3-9-15-29;1-3-9-23(10-4-1)31-36-32(24-11-5-2-6-12-24)38-33(37-31)25-17-15-22(16-18-25)26-19-20-27-29(21-26)39-28-13-7-8-14-30(28)40-34(39)35-27/h1-34H;1-30H;1-25H;1-21H
• InChIKey: AFJNKAHCROIQMX-UHFFFAOYSA-N
• XLogP: 44.50
• TPSA: 224.38 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2549.05
LogP ≤ 5	44.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzothiazole?

The IUPAC name of 9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzothiazole (CID 157097502) is 9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzothiazole.

What is the SMILES notation for 9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzothiazole?

The canonical SMILES for 9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzothiazole is c1ccc(-c2ccc3oc4nc5ccc(-c6c(-c7ccccc7)cc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6-c6ccccc6)cc5n4c3c2)cc1.c1ccc(-c2ccc3oc4nc5ccc(-c6ccc(-c7cc(-c8ccccc8)nc(-c8ccccc8)n7)cc6-c6ccccc6)cc5n4c3c2)cc1.c1ccc(-c2ccc3sc4nc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5n4c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc6sc7ccccc7n6c5c4)cc3)n2)cc1.

What is the InChIKey of 9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzothiazole?

The InChIKey is AFJNKAHCROIQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4O.C47H30N4O.C40H25N5S.C34H21N5S/c1-6-16-35(17-7-1)40-27-29-50-49(32-40)57-48-33-41(26-28-45(48)56-53(57)58-50)51-43(36-18-8-2-9-19-36)30-42(31-44(51)37-20-10-3-11-21-37)47-34-46(38-22-12-4-13-23-38)54-52(55-47)39-24-14-5-15-25-39;1-5-13-31(14-6-1)35-23-26-45-44(28-35)51-43-29-36(22-25-40(43)50-47(51)52-45)38-24-21-37(27-39(38)32-15-7-2-8-16-32)42-30-41(33-17-9-3-10-18-33)48-46(49-42)34-19-11-4-12-20-34;1-4-10-26(11-5-1)32-21-23-36-35(25-32)45-34-24-31(20-22-33(34)41-40(45)46-36)27-16-18-30(19-17-27)39-43-37(28-12-6-2-7-13-28)42-38(44-39)29-14-8-3-9-15-29;1-3-9-23(10-4-1)31-36-32(24-11-5-2-6-12-24)38-33(37-31)25-17-15-22(16-18-25)26-19-20-27-29(21-26)39-28-13-7-8-14-30(28)40-34(39)35-27/h1-34H;1-30H;1-25H;1-21H.

What are the key properties of 9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzothiazole?

9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzothiazole has a molecular weight of 2549.05 g/mol, XLogP of 44.50, 22 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenylphenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzoxazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 157097502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).