3-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-(4,6-dichloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole

C105H75BCl2N14O2 — CID 157350179

About 3-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-(4,6-dichloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole

3-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-(4,6-dichloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole (PubChem CID 157350179) has the molecular formula C105H75BCl2N14O2 and a molecular weight of 1646.57 g/mol. Its IUPAC name is 3-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-(4,6-dichloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole.

Molecular Properties

• Compound Name: 3-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-(4,6-dichloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
• PubChem CID: 157350179
• Molecular Formula: C105H75BCl2N14O2
• Molecular Weight: 1646.57 g/mol
• Exact Mass: 1644.57
• IUPAC Name: 3-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-(4,6-dichloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
• SMILES: CC1(C)OB(c2ccc(-n3c(-c4ccccc4)nc4ccccc43)cc2)OC1(C)C.Clc1nc(Cl)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)n1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3nc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n3)cc2)cc1
• InChI: InChI=1S/C59H38N8.C25H25BN2O2.C21H12Cl2N4/c1-4-16-41(17-5-1)58-60-49-23-11-14-26-53(49)66(58)45-33-28-39(29-34-45)55-62-56(40-30-35-46(36-31-40)67-54-27-15-12-24-50(54)61-59(67)42-18-6-2-7-19-42)64-57(63-55)43-32-37-52-48(38-43)47-22-10-13-25-51(47)65(52)44-20-8-3-9-21-44;1-24(2)25(3,4)30-26(29-24)19-14-16-20(17-15-19)28-22-13-9-8-12-21(22)27-23(28)18-10-6-5-7-11-18;22-20-24-19(25-21(23)26-20)13-10-11-18-16(12-13)15-8-4-5-9-17(15)27(18)14-6-2-1-3-7-14/h1-38H;5-17H,1-4H3;1-12H
• InChIKey: BHKYPEOVIGSMRC-UHFFFAOYSA-N
• XLogP: 24.92
• TPSA: 159.12 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1646.57
LogP ≤ 5	24.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-(4,6-dichloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole?

The IUPAC name of 3-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-(4,6-dichloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole (CID 157350179) is 3-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-(4,6-dichloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole.

What is the SMILES notation for 3-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-(4,6-dichloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole?

The canonical SMILES for 3-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-(4,6-dichloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole is CC1(C)OB(c2ccc(-n3c(-c4ccccc4)nc4ccccc43)cc2)OC1(C)C.Clc1nc(Cl)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)n1.c1ccc(-c2nc3ccccc3n2-c2ccc(-c3nc(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n3)cc2)cc1.

What is the InChIKey of 3-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-(4,6-dichloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole?

The InChIKey is BHKYPEOVIGSMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N8.C25H25BN2O2.C21H12Cl2N4/c1-4-16-41(17-5-1)58-60-49-23-11-14-26-53(49)66(58)45-33-28-39(29-34-45)55-62-56(40-30-35-46(36-31-40)67-54-27-15-12-24-50(54)61-59(67)42-18-6-2-7-19-42)64-57(63-55)43-32-37-52-48(38-43)47-22-10-13-25-51(47)65(52)44-20-8-3-9-21-44;1-24(2)25(3,4)30-26(29-24)19-14-16-20(17-15-19)28-22-13-9-8-12-21(22)27-23(28)18-10-6-5-7-11-18;22-20-24-19(25-21(23)26-20)13-10-11-18-16(12-13)15-8-4-5-9-17(15)27(18)14-6-2-1-3-7-14/h1-38H;5-17H,1-4H3;1-12H.

What are the key properties of 3-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-(4,6-dichloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole?

3-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-(4,6-dichloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole has a molecular weight of 1646.57 g/mol, XLogP of 24.92, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-(4,6-dichloro-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 157350179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).