2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole

C53H36N6 — CID 140948076

About 2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole

2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 140948076) has the molecular formula C53H36N6 and a molecular weight of 756.91 g/mol. Its IUPAC name is 2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole
• PubChem CID: 140948076
• Molecular Formula: C53H36N6
• Molecular Weight: 756.91 g/mol
• Exact Mass: 756.30
• IUPAC Name: 2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole
• SMILES: CC1(C)c2c(-c3ccccc3)cccc2-c2cccc(-n3c4ccc(-c5ccc6c(c5)n5c7ccccc7nc5n6-c5ccccc5)cc4n4c5ccccc5nc34)c21
• InChI: InChI=1S/C53H36N6/c1-53(2)49-37(33-15-5-3-6-16-33)19-13-20-38(49)39-21-14-26-46(50(39)53)59-45-30-28-35(32-48(45)58-43-25-12-10-23-41(43)55-52(58)59)34-27-29-44-47(31-34)57-42-24-11-9-22-40(42)54-51(57)56(44)36-17-7-4-8-18-36/h3-32H,1-2H3
• InChIKey: RMRSLYQVNSGXCL-UHFFFAOYSA-N
• XLogP: 12.82
• TPSA: 44.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.91
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole?

The IUPAC name of 2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole (CID 140948076) is 2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole.

What is the SMILES notation for 2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole?

The canonical SMILES for 2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole is CC1(C)c2c(-c3ccccc3)cccc2-c2cccc(-n3c4ccc(-c5ccc6c(c5)n5c7ccccc7nc5n6-c5ccccc5)cc4n4c5ccccc5nc34)c21.

What is the InChIKey of 2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole?

The InChIKey is RMRSLYQVNSGXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N6/c1-53(2)49-37(33-15-5-3-6-16-33)19-13-20-38(49)39-21-14-26-46(50(39)53)59-45-30-28-35(32-48(45)58-43-25-12-10-23-41(43)55-52(58)59)34-27-29-44-47(31-34)57-42-24-11-9-22-40(42)54-51(57)56(44)36-17-7-4-8-18-36/h3-32H,1-2H3.

What are the key properties of 2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole?

2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 756.91 g/mol, XLogP of 12.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 140948076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).