6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-2-phenylbenzimidazole

C171H120N12 — CID 160780398

IUPAC6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-2-phenylbenzimidazole
SMILESCc1nc2ccc(-c3cccc4c(-c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5cccc(-c6ccc7nc(C)n(C)c7c6)c5cc34)cc2n1C.Cc1nc2ccccc2n1-c1cccc2c(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc(-n4c(C)nc5ccccc54)c3cc12.Cn1c(-c2ccccc2)nc2ccc(-c3cccc4c(-c5cccc6c5C5(CCCC5)c5ccccc5-6)c5cccc(-c6ccc7nc(-c8ccccc8)n(C)c7c6)c5cc34)cc21
InChIInChI=1S/C59H44N4.C57H40N4.C55H36N4/c1-62-53-34-39(28-30-51(53)60-57(62)37-16-5-3-6-17-37)41-21-13-23-44-48(41)36-49-42(40-29-31-52-54(35-40)63(2)58(61-52)38-18-7-4-8-19-38)22-14-24-45(49)55(44)47-26-15-25-46-43-20-9-10-27-50(43)59(56(46)47)32-11-12-33-59;1-33-58-51-28-26-35(30-53(51)60(33)3)37-17-11-19-42-46(37)32-47-38(36-27-29-52-54(31-36)61(4)34(2)59-52)18-12-20-43(47)55(42)45-22-13-21-44-41-16-7-10-25-50(41)57(56(44)45)48-23-8-5-14-39(48)40-15-6-9-24-49(40)57;1-33-56-47-26-9-11-28-51(47)58(33)49-30-14-19-38-42(49)32-43-39(20-15-31-50(43)59-34(2)57-48-27-10-12-29-52(48)59)53(38)41-22-13-21-40-37-18-5-8-25-46(37)55(54(40)41)44-23-6-3-16-35(44)36-17-4-7-24-45(36)55/h3-10,13-31,34-36H,11-12,32-33H2,1-2H3;5-32H,1-4H3;3-32H,1-2H3
InChIKeySAMPMZLVQGFRLA-UHFFFAOYSA-N
MW2342.92 g/mol
LogP41.97
Rot. Bonds11

About 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-2-phenylbenzimidazole

6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-2-phenylbenzimidazole (PubChem CID 160780398) has the molecular formula C171H120N12 and a molecular weight of 2342.92 g/mol. Its IUPAC name is 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-2-phenylbenzimidazole.

Molecular Properties

Compound Name6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-2-phenylbenzimidazole
PubChem CID160780398
Molecular FormulaC171H120N12
Molecular Weight2342.92 g/mol
Exact Mass2340.98
IUPAC Name6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-2-phenylbenzimidazole
SMILESCc1nc2ccc(-c3cccc4c(-c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5cccc(-c6ccc7nc(C)n(C)c7c6)c5cc34)cc2n1C.Cc1nc2ccccc2n1-c1cccc2c(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc(-n4c(C)nc5ccccc54)c3cc12.Cn1c(-c2ccccc2)nc2ccc(-c3cccc4c(-c5cccc6c5C5(CCCC5)c5ccccc5-6)c5cccc(-c6ccc7nc(-c8ccccc8)n(C)c7c6)c5cc34)cc21
InChIInChI=1S/C59H44N4.C57H40N4.C55H36N4/c1-62-53-34-39(28-30-51(53)60-57(62)37-16-5-3-6-17-37)41-21-13-23-44-48(41)36-49-42(40-29-31-52-54(35-40)63(2)58(61-52)38-18-7-4-8-19-38)22-14-24-45(49)55(44)47-26-15-25-46-43-20-9-10-27-50(43)59(56(46)47)32-11-12-33-59;1-33-58-51-28-26-35(30-53(51)60(33)3)37-17-11-19-42-46(37)32-47-38(36-27-29-52-54(31-36)61(4)34(2)59-52)18-12-20-43(47)55(42)45-22-13-21-44-41-16-7-10-25-50(41)57(56(44)45)48-23-8-5-14-39(48)40-15-6-9-24-49(40)57;1-33-56-47-26-9-11-28-51(47)58(33)49-30-14-19-38-42(49)32-43-39(20-15-31-50(43)59-34(2)57-48-27-10-12-29-52(48)59)53(38)41-22-13-21-40-37-18-5-8-25-46(37)55(54(40)41)44-23-6-3-16-35(44)36-17-4-7-24-45(36)55/h3-10,13-31,34-36H,11-12,32-33H2,1-2H3;5-32H,1-4H3;3-32H,1-2H3
InChIKeySAMPMZLVQGFRLA-UHFFFAOYSA-N
XLogP41.97
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002342.92
LogP ≤ 541.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-2-phenylbenzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-2-phenylbenzimidazole?
The IUPAC name of 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-2-phenylbenzimidazole (CID 160780398) is 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-2-phenylbenzimidazole.
What is the SMILES notation for 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-2-phenylbenzimidazole?
The canonical SMILES for 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-2-phenylbenzimidazole is Cc1nc2ccc(-c3cccc4c(-c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c5cccc(-c6ccc7nc(C)n(C)c7c6)c5cc34)cc2n1C.Cc1nc2ccccc2n1-c1cccc2c(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc(-n4c(C)nc5ccccc54)c3cc12.Cn1c(-c2ccccc2)nc2ccc(-c3cccc4c(-c5cccc6c5C5(CCCC5)c5ccccc5-6)c5cccc(-c6ccc7nc(-c8ccccc8)n(C)c7c6)c5cc34)cc21.
What is the InChIKey of 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-2-phenylbenzimidazole?
The InChIKey is SAMPMZLVQGFRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44N4.C57H40N4.C55H36N4/c1-62-53-34-39(28-30-51(53)60-57(62)37-16-5-3-6-17-37)41-21-13-23-44-48(41)36-49-42(40-29-31-52-54(35-40)63(2)58(61-52)38-18-7-4-8-19-38)22-14-24-45(49)55(44)47-26-15-25-46-43-20-9-10-27-50(43)59(56(46)47)32-11-12-33-59;1-33-58-51-28-26-35(30-53(51)60(33)3)37-17-11-19-42-46(37)32-47-38(36-27-29-52-54(31-36)61(4)34(2)59-52)18-12-20-43(47)55(42)45-22-13-21-44-41-16-7-10-25-50(41)57(56(44)45)48-23-8-5-14-39(48)40-15-6-9-24-49(40)57;1-33-56-47-26-9-11-28-51(47)58(33)49-30-14-19-38-42(49)32-43-39(20-15-31-50(43)59-34(2)57-48-27-10-12-29-52(48)59)53(38)41-22-13-21-40-37-18-5-8-25-46(37)55(54(40)41)44-23-6-3-16-35(44)36-17-4-7-24-45(36)55/h3-10,13-31,34-36H,11-12,32-33H2,1-2H3;5-32H,1-4H3;3-32H,1-2H3.
What are the key properties of 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-2-phenylbenzimidazole?
6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-2-phenylbenzimidazole has a molecular weight of 2342.92 g/mol, XLogP of 41.97, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-2-phenylbenzimidazole is sourced from PubChem (CID 160780398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).