2-[5-(6-bromo-3-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;9,9-dimethyl-N,N-diphenyl-7-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]fluoren-2-amine;9,9-dimethyl-N,N-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine;ethane

C108H92BBrN10O2 — CID 158155585

About 2-[5-(6-bromo-3-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;9,9-dimethyl-N,N-diphenyl-7-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]fluoren-2-amine;9,9-dimethyl-N,N-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine;ethane

2-[5-(6-bromo-3-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;9,9-dimethyl-N,N-diphenyl-7-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]fluoren-2-amine;9,9-dimethyl-N,N-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine;ethane (PubChem CID 158155585) has the molecular formula C108H92BBrN10O2 and a molecular weight of 1652.71 g/mol. Its IUPAC name is 2-[5-(6-bromo-3-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;9,9-dimethyl-N,N-diphenyl-7-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]fluoren-2-amine;9,9-dimethyl-N,N-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine;ethane.

Molecular Properties

• Compound Name: 2-[5-(6-bromo-3-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;9,9-dimethyl-N,N-diphenyl-7-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]fluoren-2-amine;9,9-dimethyl-N,N-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine;ethane
• PubChem CID: 158155585
• Molecular Formula: C108H92BBrN10O2
• Molecular Weight: 1652.71 g/mol
• Exact Mass: 1650.67
• IUPAC Name: 2-[5-(6-bromo-3-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;9,9-dimethyl-N,N-diphenyl-7-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]fluoren-2-amine;9,9-dimethyl-N,N-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine;ethane
• SMILES: Brc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)nc2)cn1.CC.CC1(C)c2cc(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)nc4)cn3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.CC1(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C50H37N5.C33H34BNO2.C23H15BrN4.C2H6/c1-50(2)43-30-34(22-26-41(43)42-27-25-40(31-44(42)50)54(37-14-6-3-7-15-37)38-16-8-4-9-17-38)45-28-23-35(32-51-45)36-24-29-47(52-33-36)49-53-46-20-12-13-21-48(46)55(49)39-18-10-5-11-19-39;1-31(2)29-21-23(34-36-32(3,4)33(5,6)37-34)17-19-27(29)28-20-18-26(22-30(28)31)35(24-13-9-7-10-14-24)25-15-11-8-12-16-25;24-22-13-11-17(15-26-22)16-10-12-20(25-14-16)23-27-19-8-4-5-9-21(19)28(23)18-6-2-1-3-7-18;1-2/h3-33H,1-2H3;7-22H,1-6H3;1-15H;1-2H3
• InChIKey: FVQJNVCCFKLPGC-UHFFFAOYSA-N
• XLogP: 27.29
• TPSA: 112.14 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1652.71
LogP ≤ 5	27.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-bromo-3-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;9,9-dimethyl-N,N-diphenyl-7-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]fluoren-2-amine;9,9-dimethyl-N,N-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine;ethane?

The IUPAC name of 2-[5-(6-bromo-3-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;9,9-dimethyl-N,N-diphenyl-7-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]fluoren-2-amine;9,9-dimethyl-N,N-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine;ethane (CID 158155585) is 2-[5-(6-bromo-3-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;9,9-dimethyl-N,N-diphenyl-7-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]fluoren-2-amine;9,9-dimethyl-N,N-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine;ethane.

What is the SMILES notation for 2-[5-(6-bromo-3-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;9,9-dimethyl-N,N-diphenyl-7-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]fluoren-2-amine;9,9-dimethyl-N,N-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine;ethane?

The canonical SMILES for 2-[5-(6-bromo-3-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;9,9-dimethyl-N,N-diphenyl-7-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]fluoren-2-amine;9,9-dimethyl-N,N-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine;ethane is Brc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)nc2)cn1.CC.CC1(C)c2cc(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)nc4)cn3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.CC1(C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of 2-[5-(6-bromo-3-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;9,9-dimethyl-N,N-diphenyl-7-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]fluoren-2-amine;9,9-dimethyl-N,N-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine;ethane?

The InChIKey is FVQJNVCCFKLPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N5.C33H34BNO2.C23H15BrN4.C2H6/c1-50(2)43-30-34(22-26-41(43)42-27-25-40(31-44(42)50)54(37-14-6-3-7-15-37)38-16-8-4-9-17-38)45-28-23-35(32-51-45)36-24-29-47(52-33-36)49-53-46-20-12-13-21-48(46)55(49)39-18-10-5-11-19-39;1-31(2)29-21-23(34-36-32(3,4)33(5,6)37-34)17-19-27(29)28-20-18-26(22-30(28)31)35(24-13-9-7-10-14-24)25-15-11-8-12-16-25;24-22-13-11-17(15-26-22)16-10-12-20(25-14-16)23-27-19-8-4-5-9-21(19)28(23)18-6-2-1-3-7-18;1-2/h3-33H,1-2H3;7-22H,1-6H3;1-15H;1-2H3.

What are the key properties of 2-[5-(6-bromo-3-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;9,9-dimethyl-N,N-diphenyl-7-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]fluoren-2-amine;9,9-dimethyl-N,N-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine;ethane?

2-[5-(6-bromo-3-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;9,9-dimethyl-N,N-diphenyl-7-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]fluoren-2-amine;9,9-dimethyl-N,N-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine;ethane has a molecular weight of 1652.71 g/mol, XLogP of 27.29, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(6-bromo-3-pyridinyl)-2-pyridinyl]-1-phenylbenzimidazole;9,9-dimethyl-N,N-diphenyl-7-[5-[6-(1-phenylbenzimidazol-2-yl)-3-pyridinyl]-2-pyridinyl]fluoren-2-amine;9,9-dimethyl-N,N-diphenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-amine;ethane is sourced from PubChem (CID 158155585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).