5-[3-[3-[3-[3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazol-7-yl]imidazo[1,2-a]benzimidazol-1-yl]carbazol-9-yl]carbazol-9-yl]-[1,3]oxazolo[3,2-a]benzimidazole

C72H43N13O — CID 154979942

IUPAC5-[3-[3-[3-[3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazol-7-yl]imidazo[1,2-a]benzimidazol-1-yl]carbazol-9-yl]carbazol-9-yl]-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1cc(-c2cccc(-n3ccn4c5cc(-n6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)c7ccccc7n8-c7cccc8c7nc7occn78)n7c8ccccc8nc67)ccc5nc34)c2)cc(-n2ccn3c4ccccc4nc23)c1
InChIInChI=1S/C72H43N13O/c1-5-20-58-51(16-1)53-40-46(26-30-60(53)83(58)50-28-31-61-54(41-50)52-17-2-6-21-59(52)84(61)65-25-11-24-64-68(65)76-72-81(64)36-37-86-72)67-43-82(71-75-56-19-4-8-23-63(56)85(67)71)49-27-29-57-66(42-49)80-35-33-78(70(80)74-57)48-15-10-13-45(39-48)44-12-9-14-47(38-44)77-32-34-79-62-22-7-3-18-55(62)73-69(77)79/h1-43H
InChIKeyGQJNQESJIZFPLK-UHFFFAOYSA-N
MW1106.23 g/mol
LogP16.38
Rot. Bonds7

About 5-[3-[3-[3-[3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazol-7-yl]imidazo[1,2-a]benzimidazol-1-yl]carbazol-9-yl]carbazol-9-yl]-[1,3]oxazolo[3,2-a]benzimidazole

5-[3-[3-[3-[3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazol-7-yl]imidazo[1,2-a]benzimidazol-1-yl]carbazol-9-yl]carbazol-9-yl]-[1,3]oxazolo[3,2-a]benzimidazole (PubChem CID 154979942) has the molecular formula C72H43N13O and a molecular weight of 1106.23 g/mol. Its IUPAC name is 5-[3-[3-[3-[3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazol-7-yl]imidazo[1,2-a]benzimidazol-1-yl]carbazol-9-yl]carbazol-9-yl]-[1,3]oxazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name5-[3-[3-[3-[3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazol-7-yl]imidazo[1,2-a]benzimidazol-1-yl]carbazol-9-yl]carbazol-9-yl]-[1,3]oxazolo[3,2-a]benzimidazole
PubChem CID154979942
Molecular FormulaC72H43N13O
Molecular Weight1106.23 g/mol
Exact Mass1105.37
IUPAC Name5-[3-[3-[3-[3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazol-7-yl]imidazo[1,2-a]benzimidazol-1-yl]carbazol-9-yl]carbazol-9-yl]-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1cc(-c2cccc(-n3ccn4c5cc(-n6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)c7ccccc7n8-c7cccc8c7nc7occn78)n7c8ccccc8nc67)ccc5nc34)c2)cc(-n2ccn3c4ccccc4nc23)c1
InChIInChI=1S/C72H43N13O/c1-5-20-58-51(16-1)53-40-46(26-30-60(53)83(58)50-28-31-61-54(41-50)52-17-2-6-21-59(52)84(61)65-25-11-24-64-68(65)76-72-81(64)36-37-86-72)67-43-82(71-75-56-19-4-8-23-63(56)85(67)71)49-27-29-57-66(42-49)80-35-33-78(70(80)74-57)48-15-10-13-45(39-48)44-12-9-14-47(38-44)77-32-34-79-62-22-7-3-18-55(62)73-69(77)79/h1-43H
InChIKeyGQJNQESJIZFPLK-UHFFFAOYSA-N
XLogP16.38
TPSA106.99 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001106.23
LogP ≤ 516.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 5-[3-[3-[3-[3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazol-7-yl]imidazo[1,2-a]benzimidazol-1-yl]carbazol-9-yl]carbazol-9-yl]-[1,3]oxazolo[3,2-a]benzimidazole with MolForge

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Related Compounds

5-(2,2-Dimethyl-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
CID 136504841
6-[6-(4-Fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-phenylbenzimidazol-2-amine
CID 141490959
1-Benzyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine
CID 141490971
5-(4-Carbazol-9-ylphenyl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]oxazole
CID 59691056
5-(4-Carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole
CID 59691089
4-(5-carbazol-9-ylimidazo[2,1-b][1,3]oxazol-6-yl)-N,N-diphenylaniline
CID 59691106
5-(4-Carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole
CID 59691112
5-(4-Carbazol-9-ylphenyl)-6-naphthalen-1-ylimidazo[2,1-b][1,3]oxazole
CID 59691151
5-(4-Carbazol-9-ylphenyl)-6-phenylimidazo[2,1-b][1,3]oxazole
CID 59691166
5-(4-Carbazol-9-ylphenyl)-6-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]oxazole
CID 59691167
5,6-Di(carbazol-9-yl)imidazo[2,1-b][1,3]oxazole
CID 59691209
5-(4-Carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole
CID 59691224

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[3-[3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazol-7-yl]imidazo[1,2-a]benzimidazol-1-yl]carbazol-9-yl]carbazol-9-yl]-[1,3]oxazolo[3,2-a]benzimidazole?
The IUPAC name of 5-[3-[3-[3-[3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazol-7-yl]imidazo[1,2-a]benzimidazol-1-yl]carbazol-9-yl]carbazol-9-yl]-[1,3]oxazolo[3,2-a]benzimidazole (CID 154979942) is 5-[3-[3-[3-[3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazol-7-yl]imidazo[1,2-a]benzimidazol-1-yl]carbazol-9-yl]carbazol-9-yl]-[1,3]oxazolo[3,2-a]benzimidazole.
What is the SMILES notation for 5-[3-[3-[3-[3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazol-7-yl]imidazo[1,2-a]benzimidazol-1-yl]carbazol-9-yl]carbazol-9-yl]-[1,3]oxazolo[3,2-a]benzimidazole?
The canonical SMILES for 5-[3-[3-[3-[3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazol-7-yl]imidazo[1,2-a]benzimidazol-1-yl]carbazol-9-yl]carbazol-9-yl]-[1,3]oxazolo[3,2-a]benzimidazole is c1cc(-c2cccc(-n3ccn4c5cc(-n6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)c7ccccc7n8-c7cccc8c7nc7occn78)n7c8ccccc8nc67)ccc5nc34)c2)cc(-n2ccn3c4ccccc4nc23)c1.
What is the InChIKey of 5-[3-[3-[3-[3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazol-7-yl]imidazo[1,2-a]benzimidazol-1-yl]carbazol-9-yl]carbazol-9-yl]-[1,3]oxazolo[3,2-a]benzimidazole?
The InChIKey is GQJNQESJIZFPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H43N13O/c1-5-20-58-51(16-1)53-40-46(26-30-60(53)83(58)50-28-31-61-54(41-50)52-17-2-6-21-59(52)84(61)65-25-11-24-64-68(65)76-72-81(64)36-37-86-72)67-43-82(71-75-56-19-4-8-23-63(56)85(67)71)49-27-29-57-66(42-49)80-35-33-78(70(80)74-57)48-15-10-13-45(39-48)44-12-9-14-47(38-44)77-32-34-79-62-22-7-3-18-55(62)73-69(77)79/h1-43H.
What are the key properties of 5-[3-[3-[3-[3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazol-7-yl]imidazo[1,2-a]benzimidazol-1-yl]carbazol-9-yl]carbazol-9-yl]-[1,3]oxazolo[3,2-a]benzimidazole?
5-[3-[3-[3-[3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazol-7-yl]imidazo[1,2-a]benzimidazol-1-yl]carbazol-9-yl]carbazol-9-yl]-[1,3]oxazolo[3,2-a]benzimidazole has a molecular weight of 1106.23 g/mol, XLogP of 16.38, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-[3-[3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazol-7-yl]imidazo[1,2-a]benzimidazol-1-yl]carbazol-9-yl]carbazol-9-yl]-[1,3]oxazolo[3,2-a]benzimidazole is sourced from PubChem (CID 154979942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).