2-bromo-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-carbazol-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen

C69H55BBrN7O2 — CID 158127708

About 2-bromo-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-carbazol-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen

2-bromo-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-carbazol-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen (PubChem CID 158127708) has the molecular formula C69H55BBrN7O2 and a molecular weight of 1104.96 g/mol. Its IUPAC name is 2-bromo-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-carbazol-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen.

Molecular Properties

• Compound Name: 2-bromo-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-carbazol-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen
• PubChem CID: 158127708
• Molecular Formula: C69H55BBrN7O2
• Molecular Weight: 1104.96 g/mol
• Exact Mass: 1103.37
• IUPAC Name: 2-bromo-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-carbazol-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen
• SMILES: Brc1ccc2c(c1)n1c3ccccc3nc1n2-c1ccccc1.CC1(C)OB(c2cccc3c2Cc2ccccc2-3)OC1(C)C.[H][H].c1ccc(-n2c3ccc(-c4cccc5c4[nH]c4ccccc45)cc3n3c4ccccc4nc23)cc1
• InChI: InChI=1S/C31H20N4.C19H21BO2.C19H12BrN3.H2/c1-2-9-21(10-3-1)34-28-18-17-20(19-29(28)35-27-16-7-6-15-26(27)33-31(34)35)22-12-8-13-24-23-11-4-5-14-25(23)32-30(22)24;1-18(2)19(3,4)22-20(21-18)17-11-7-10-15-14-9-6-5-8-13(14)12-16(15)17;20-13-10-11-17-18(12-13)23-16-9-5-4-8-15(16)21-19(23)22(17)14-6-2-1-3-7-14;/h1-19,32H;5-11H,12H2,1-4H3;1-12H;1H
• InChIKey: FSJSHVGDNPRIMG-UHFFFAOYSA-N
• XLogP: 16.73
• TPSA: 78.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1104.96
LogP ≤ 5	16.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-carbazol-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen?

The IUPAC name of 2-bromo-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-carbazol-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen (CID 158127708) is 2-bromo-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-carbazol-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen.

What is the SMILES notation for 2-bromo-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-carbazol-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen?

The canonical SMILES for 2-bromo-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-carbazol-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen is Brc1ccc2c(c1)n1c3ccccc3nc1n2-c1ccccc1.CC1(C)OB(c2cccc3c2Cc2ccccc2-3)OC1(C)C.[H][H].c1ccc(-n2c3ccc(-c4cccc5c4[nH]c4ccccc45)cc3n3c4ccccc4nc23)cc1.

What is the InChIKey of 2-bromo-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-carbazol-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen?

The InChIKey is FSJSHVGDNPRIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N4.C19H21BO2.C19H12BrN3.H2/c1-2-9-21(10-3-1)34-28-18-17-20(19-29(28)35-27-16-7-6-15-26(27)33-31(34)35)22-12-8-13-24-23-11-4-5-14-25(23)32-30(22)24;1-18(2)19(3,4)22-20(21-18)17-11-7-10-15-14-9-6-5-8-13(14)12-16(15)17;20-13-10-11-17-18(12-13)23-16-9-5-4-8-15(16)21-19(23)22(17)14-6-2-1-3-7-14;/h1-19,32H;5-11H,12H2,1-4H3;1-12H;1H.

What are the key properties of 2-bromo-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-carbazol-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen?

2-bromo-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-carbazol-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen has a molecular weight of 1104.96 g/mol, XLogP of 16.73, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-carbazol-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole;2-(9H-fluoren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;molecular hydrogen is sourced from PubChem (CID 158127708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).