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;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzothiazole;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzoxazole

C170H120N28O2S2 — CID 157127425

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;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzothiazole;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzoxazole
SMILESCc1cc(-n2c3ccccc3n3c4cccc(C)c4nc23)cc2c1nc1oc3ccc(-n4c5ccccc5n5c6cccc(C)c6nc45)cc3n12.Cc1cc(-n2c3ccccc3n3c4cccc(C)c4nc23)cc2c1nc1sc3ccc(-n4c5ccccc5n5c6cccc(C)c6nc45)cc3n12.Cc1cccc2c1nc1n(-c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6n6c7cccc(C)c7nc56)ccc3O4)c3ccccc3n21.Cc1cccc2c1nc1n(-c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6n6c7cccc(C)c7nc56)ccc3S4)c3ccccc3n21
InChIInChI=1S/C43H32N6O.C43H32N6S.C42H28N8O.C42H28N8S/c2*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;2*1-23-10-8-16-32-37(23)43-40-46(28-12-4-6-14-30(28)48(32)40)26-18-19-36-34(21-26)50-35-22-27(20-25(3)39(35)45-42(50)51-36)47-29-13-5-7-15-31(29)49-33-17-9-11-24(2)38(33)44-41(47)49/h2*5-24H,1-4H3;2*4-22H,1-3H3
InChIKeyAIRAXVWLILHMHG-UHFFFAOYSA-N
MW2651.16 g/mol
LogP40.57
Rot. Bonds8

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;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzothiazole;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzoxazole

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;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzothiazole;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzoxazole (PubChem CID 157127425) has the molecular formula C170H120N28O2S2 and a molecular weight of 2651.16 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;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzothiazole;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzoxazole.

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;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzothiazole;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzoxazole
PubChem CID157127425
Molecular FormulaC170H120N28O2S2
Molecular Weight2651.16 g/mol
Exact Mass2648.96
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;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzothiazole;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzoxazole
SMILESCc1cc(-n2c3ccccc3n3c4cccc(C)c4nc23)cc2c1nc1oc3ccc(-n4c5ccccc5n5c6cccc(C)c6nc45)cc3n12.Cc1cc(-n2c3ccccc3n3c4cccc(C)c4nc23)cc2c1nc1sc3ccc(-n4c5ccccc5n5c6cccc(C)c6nc45)cc3n12.Cc1cccc2c1nc1n(-c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6n6c7cccc(C)c7nc56)ccc3O4)c3ccccc3n21.Cc1cccc2c1nc1n(-c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6n6c7cccc(C)c7nc56)ccc3S4)c3ccccc3n21
InChIInChI=1S/C43H32N6O.C43H32N6S.C42H28N8O.C42H28N8S/c2*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;2*1-23-10-8-16-32-37(23)43-40-46(28-12-4-6-14-30(28)48(32)40)26-18-19-36-34(21-26)50-35-22-27(20-25(3)39(35)45-42(50)51-36)47-29-13-5-7-15-31(29)49-33-17-9-11-24(2)38(33)44-41(47)49/h2*5-24H,1-4H3;2*4-22H,1-3H3
InChIKeyAIRAXVWLILHMHG-UHFFFAOYSA-N
XLogP40.57
TPSA234.81 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds8
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002651.16
LogP ≤ 540.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

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;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzothiazole;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzoxazole with MolForge

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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;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzothiazole;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzoxazole?
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;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzothiazole;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzoxazole (CID 157127425) 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;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzothiazole;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzoxazole.
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;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzothiazole;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzoxazole?
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;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzothiazole;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzoxazole is Cc1cc(-n2c3ccccc3n3c4cccc(C)c4nc23)cc2c1nc1oc3ccc(-n4c5ccccc5n5c6cccc(C)c6nc45)cc3n12.Cc1cc(-n2c3ccccc3n3c4cccc(C)c4nc23)cc2c1nc1sc3ccc(-n4c5ccccc5n5c6cccc(C)c6nc45)cc3n12.Cc1cccc2c1nc1n(-c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6n6c7cccc(C)c7nc56)ccc3O4)c3ccccc3n21.Cc1cccc2c1nc1n(-c3ccc4c(c3)C(C)(C)c3cc(-n5c6ccccc6n6c7cccc(C)c7nc56)ccc3S4)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;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzothiazole;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzoxazole?
The InChIKey is AIRAXVWLILHMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N6O.C43H32N6S.C42H28N8O.C42H28N8S/c2*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;2*1-23-10-8-16-32-37(23)43-40-46(28-12-4-6-14-30(28)48(32)40)26-18-19-36-34(21-26)50-35-22-27(20-25(3)39(35)45-42(50)51-36)47-29-13-5-7-15-31(29)49-33-17-9-11-24(2)38(33)44-41(47)49/h2*5-24H,1-4H3;2*4-22H,1-3H3.
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;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzothiazole;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzoxazole?
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;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzothiazole;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzoxazole has a molecular weight of 2651.16 g/mol, XLogP of 40.57, 8 rotatable bonds, 0 hydrogen bond donors, and 32 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;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzothiazole;7-methyl-2,9-bis(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)benzimidazolo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 157127425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).