6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)thioxanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-[6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-9,9'-spirobi[xanthene]-3-yl]benzimidazolo[1,2-a]benzimidazole

C139H98N18O3S — CID 158917197

IUPAC6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)thioxanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-[6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-9,9'-spirobi[xanthene]-3-yl]benzimidazolo[1,2-a]benzimidazole
SMILESCc1cccc2c1nc1n(-c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6n6c7cccc(C)c7nc56)ccc3O4)c3ccccc3n21.Cc1cccc2c1nc1n(-c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6n6c7cccc(C)c7nc56)ccc3S4)c3ccccc3n21.Cc1cccc2c1nc1n(-c3ccc4c(c3)Oc3cc(-n5c6ccccc6n6c7cccc(C)c7nc56)ccc3C43c4ccccc4Oc4ccccc43)c3ccccc3n21
InChIInChI=1S/C53H34N6O2.C43H32N6O.C43H32N6S/c1-31-13-11-21-43-49(31)54-51-56(39-17-5-7-19-41(39)58(43)51)33-25-27-37-47(29-33)61-48-30-34(57-40-18-6-8-20-42(40)59-44-22-12-14-32(2)50(44)55-52(57)59)26-28-38(48)53(37)35-15-3-9-23-45(35)60-46-24-10-4-16-36(46)53;2*1-25-11-9-17-35-39(25)44-41-46(31-13-5-7-15-33(31)48(35)41)27-19-21-37-29(23-27)43(3,4)30-24-28(20-22-38(30)50-37)47-32-14-6-8-16-34(32)49-36-18-10-12-26(2)40(36)45-42(47)49/h3-30H,1-2H3;2*5-24H,1-4H3
InChIKeyJHJJLURCUMTHEF-UHFFFAOYSA-N
MW2100.50 g/mol
LogP33.20
Rot. Bonds6

About 6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)thioxanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-[6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-9,9'-spirobi[xanthene]-3-yl]benzimidazolo[1,2-a]benzimidazole

6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)thioxanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-[6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-9,9'-spirobi[xanthene]-3-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 158917197) has the molecular formula C139H98N18O3S and a molecular weight of 2100.50 g/mol. Its IUPAC name is 6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)thioxanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-[6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-9,9'-spirobi[xanthene]-3-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)thioxanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-[6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-9,9'-spirobi[xanthene]-3-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID158917197
Molecular FormulaC139H98N18O3S
Molecular Weight2100.50 g/mol
Exact Mass2098.78
IUPAC Name6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)thioxanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-[6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-9,9'-spirobi[xanthene]-3-yl]benzimidazolo[1,2-a]benzimidazole
SMILESCc1cccc2c1nc1n(-c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6n6c7cccc(C)c7nc56)ccc3O4)c3ccccc3n21.Cc1cccc2c1nc1n(-c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6n6c7cccc(C)c7nc56)ccc3S4)c3ccccc3n21.Cc1cccc2c1nc1n(-c3ccc4c(c3)Oc3cc(-n5c6ccccc6n6c7cccc(C)c7nc56)ccc3C43c4ccccc4Oc4ccccc43)c3ccccc3n21
InChIInChI=1S/C53H34N6O2.C43H32N6O.C43H32N6S/c1-31-13-11-21-43-49(31)54-51-56(39-17-5-7-19-41(39)58(43)51)33-25-27-37-47(29-33)61-48-30-34(57-40-18-6-8-20-42(40)59-44-22-12-14-32(2)50(44)55-52(57)59)26-28-38(48)53(37)35-15-3-9-23-45(35)60-46-24-10-4-16-36(46)53;2*1-25-11-9-17-35-39(25)44-41-46(31-13-5-7-15-33(31)48(35)41)27-19-21-37-29(23-27)43(3,4)30-24-28(20-22-38(30)50-37)47-32-14-6-8-16-34(32)49-36-18-10-12-26(2)40(36)45-42(47)49/h3-30H,1-2H3;2*5-24H,1-4H3
InChIKeyJHJJLURCUMTHEF-UHFFFAOYSA-N
XLogP33.20
TPSA161.07 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds6
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002100.50
LogP ≤ 533.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)thioxanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-[6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-9,9'-spirobi[xanthene]-3-yl]benzimidazolo[1,2-a]benzimidazole with MolForge

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Related Compounds

6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)thioxanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-[6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-9,9'-spirobi[thioxanthene]-3-yl]benzimidazolo[1,2-a]benzimidazole;4-methyl-6-[6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-9,9'-spirobi[xanthene]-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 163694632
6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole
CID 157127428
5-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-bis(trideuteriomethyl)xanthen-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 167413458
5-[5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140920098
4-methyl-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-10,10'-spirobi[benzo[b][1,4]benzothiasiline]-7-yl]benzimidazolo[1,2-a]benzimidazole
CID 158092786
5-[9-(9,9'-spirobi[xanthene]-2-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 170785662
diphenyl-(10,10'-spirobi[benzo[b][1,4]benzoxasiline]-4-yl)-[3-[4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]silane;diphenyl-(9,9'-spirobi[thioxanthene]-4-yl)-[3-[7-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]silane;diphenyl-(9,9'-spirobi[xanthene]-4-yl)-[3-[4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]silane;diphenyl-(9,9'-spirobi[xanthene]-4-yl)-[3-[4-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]silane
CID 159282237
5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-10,10-dimethylbenzo[b][1,4]benzothiasilin-6-yl]benzimidazolo[1,2-a]benzimidazole;5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-10,10-dimethylbenzo[b][1,4]benzoxasilin-7-yl]benzimidazolo[1,2-a]benzimidazole;5-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole;4-[7-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-3,6-ditert-butyl-9,9-dimethylxanthen-2-yl]benzimidazolo[2,1-b][1,3]benzothiazole
CID 158909310
[9,9-bis(trideuteriomethyl)xanthen-4-yl]-diphenyl-[4-[4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]silane
CID 168793001
5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-10,10-dimethylbenzo[b][1,4]benzothiasilin-8-yl]benzimidazolo[1,2-a]benzimidazole;5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-10,10-dimethylbenzo[b][1,4]benzoxasilin-8-yl]benzimidazolo[1,2-a]benzimidazole;5-[7-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylthioxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole;5-[7-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole;[3-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-4-tert-butylphenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-dimethylsilane;[3-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-4-tert-butylphenyl]-(9,9-dimethylthioxanthen-4-yl)-dimethylsilane
CID 159221313
6-tetraphenylen-2-yl-4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole
CID 137364519
5-methyl-3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-5-(trideuteriomethyl)-7-[4-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]-[1,4]benzoxasilino[2,3-b]pyridine
CID 160861635

Frequently Asked Questions

What is the IUPAC name of 6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)thioxanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-[6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-9,9'-spirobi[xanthene]-3-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)thioxanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-[6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-9,9'-spirobi[xanthene]-3-yl]benzimidazolo[1,2-a]benzimidazole (CID 158917197) is 6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)thioxanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-[6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-9,9'-spirobi[xanthene]-3-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)thioxanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-[6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-9,9'-spirobi[xanthene]-3-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)thioxanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-[6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-9,9'-spirobi[xanthene]-3-yl]benzimidazolo[1,2-a]benzimidazole is Cc1cccc2c1nc1n(-c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6n6c7cccc(C)c7nc56)ccc3O4)c3ccccc3n21.Cc1cccc2c1nc1n(-c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6n6c7cccc(C)c7nc56)ccc3S4)c3ccccc3n21.Cc1cccc2c1nc1n(-c3ccc4c(c3)Oc3cc(-n5c6ccccc6n6c7cccc(C)c7nc56)ccc3C43c4ccccc4Oc4ccccc43)c3ccccc3n21.
What is the InChIKey of 6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)thioxanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-[6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-9,9'-spirobi[xanthene]-3-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is JHJJLURCUMTHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N6O2.C43H32N6O.C43H32N6S/c1-31-13-11-21-43-49(31)54-51-56(39-17-5-7-19-41(39)58(43)51)33-25-27-37-47(29-33)61-48-30-34(57-40-18-6-8-20-42(40)59-44-22-12-14-32(2)50(44)55-52(57)59)26-28-38(48)53(37)35-15-3-9-23-45(35)60-46-24-10-4-16-36(46)53;2*1-25-11-9-17-35-39(25)44-41-46(31-13-5-7-15-33(31)48(35)41)27-19-21-37-29(23-27)43(3,4)30-24-28(20-22-38(30)50-37)47-32-14-6-8-16-34(32)49-36-18-10-12-26(2)40(36)45-42(47)49/h3-30H,1-2H3;2*5-24H,1-4H3.
What are the key properties of 6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)thioxanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-[6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-9,9'-spirobi[xanthene]-3-yl]benzimidazolo[1,2-a]benzimidazole?
6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)thioxanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-[6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-9,9'-spirobi[xanthene]-3-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 2100.50 g/mol, XLogP of 33.20, 6 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)thioxanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-[6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-9,9'-spirobi[xanthene]-3-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 158917197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).