tris(2-[[2-(3,3-dimethyl-2H-indol-1-yl)phenyl]methyl]-5-methyl-1,3-benzothiazole);bis(2-[[2-(3,3-dimethyl-2H-indol-1-yl)-3-pyridinyl]methyl]-5-methyl-1,3-benzothiazole)

C123H118N12S5 — CID 159440047

About tris(2-[[2-(3,3-dimethyl-2H-indol-1-yl)phenyl]methyl]-5-methyl-1,3-benzothiazole);bis(2-[[2-(3,3-dimethyl-2H-indol-1-yl)-3-pyridinyl]methyl]-5-methyl-1,3-benzothiazole)

tris(2-[[2-(3,3-dimethyl-2H-indol-1-yl)phenyl]methyl]-5-methyl-1,3-benzothiazole);bis(2-[[2-(3,3-dimethyl-2H-indol-1-yl)-3-pyridinyl]methyl]-5-methyl-1,3-benzothiazole) (PubChem CID 159440047) has the molecular formula C123H118N12S5 and a molecular weight of 1924.72 g/mol. Its IUPAC name is tris(2-[[2-(3,3-dimethyl-2H-indol-1-yl)phenyl]methyl]-5-methyl-1,3-benzothiazole);bis(2-[[2-(3,3-dimethyl-2H-indol-1-yl)-3-pyridinyl]methyl]-5-methyl-1,3-benzothiazole).

Molecular Properties

• Compound Name: tris(2-[[2-(3,3-dimethyl-2H-indol-1-yl)phenyl]methyl]-5-methyl-1,3-benzothiazole);bis(2-[[2-(3,3-dimethyl-2H-indol-1-yl)-3-pyridinyl]methyl]-5-methyl-1,3-benzothiazole)
• PubChem CID: 159440047
• Molecular Formula: C123H118N12S5
• Molecular Weight: 1924.72 g/mol
• Exact Mass: 1922.82
• IUPAC Name: tris(2-[[2-(3,3-dimethyl-2H-indol-1-yl)phenyl]methyl]-5-methyl-1,3-benzothiazole);bis(2-[[2-(3,3-dimethyl-2H-indol-1-yl)-3-pyridinyl]methyl]-5-methyl-1,3-benzothiazole)
• SMILES: Cc1ccc2sc(Cc3ccccc3N3CC(C)(C)c4ccccc43)nc2c1.Cc1ccc2sc(Cc3ccccc3N3CC(C)(C)c4ccccc43)nc2c1.Cc1ccc2sc(Cc3ccccc3N3CC(C)(C)c4ccccc43)nc2c1.Cc1ccc2sc(Cc3cccnc3N3CC(C)(C)c4ccccc43)nc2c1.Cc1ccc2sc(Cc3cccnc3N3CC(C)(C)c4ccccc43)nc2c1
• InChI: InChI=1S/3C25H24N2S.2C24H23N3S/c3*1-17-12-13-23-20(14-17)26-24(28-23)15-18-8-4-6-10-21(18)27-16-25(2,3)19-9-5-7-11-22(19)27;2*1-16-10-11-21-19(13-16)26-22(28-21)14-17-7-6-12-25-23(17)27-15-24(2,3)18-8-4-5-9-20(18)27/h3*4-14H,15-16H2,1-3H3;2*4-13H,14-15H2,1-3H3
• InChIKey: LSBAOBUSYIBJAC-UHFFFAOYSA-N
• XLogP: 31.91
• TPSA: 106.43 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1924.72
LogP ≤ 5	31.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of tris(2-[[2-(3,3-dimethyl-2H-indol-1-yl)phenyl]methyl]-5-methyl-1,3-benzothiazole);bis(2-[[2-(3,3-dimethyl-2H-indol-1-yl)-3-pyridinyl]methyl]-5-methyl-1,3-benzothiazole)?

The IUPAC name of tris(2-[[2-(3,3-dimethyl-2H-indol-1-yl)phenyl]methyl]-5-methyl-1,3-benzothiazole);bis(2-[[2-(3,3-dimethyl-2H-indol-1-yl)-3-pyridinyl]methyl]-5-methyl-1,3-benzothiazole) (CID 159440047) is tris(2-[[2-(3,3-dimethyl-2H-indol-1-yl)phenyl]methyl]-5-methyl-1,3-benzothiazole);bis(2-[[2-(3,3-dimethyl-2H-indol-1-yl)-3-pyridinyl]methyl]-5-methyl-1,3-benzothiazole).

What is the SMILES notation for tris(2-[[2-(3,3-dimethyl-2H-indol-1-yl)phenyl]methyl]-5-methyl-1,3-benzothiazole);bis(2-[[2-(3,3-dimethyl-2H-indol-1-yl)-3-pyridinyl]methyl]-5-methyl-1,3-benzothiazole)?

The canonical SMILES for tris(2-[[2-(3,3-dimethyl-2H-indol-1-yl)phenyl]methyl]-5-methyl-1,3-benzothiazole);bis(2-[[2-(3,3-dimethyl-2H-indol-1-yl)-3-pyridinyl]methyl]-5-methyl-1,3-benzothiazole) is Cc1ccc2sc(Cc3ccccc3N3CC(C)(C)c4ccccc43)nc2c1.Cc1ccc2sc(Cc3ccccc3N3CC(C)(C)c4ccccc43)nc2c1.Cc1ccc2sc(Cc3ccccc3N3CC(C)(C)c4ccccc43)nc2c1.Cc1ccc2sc(Cc3cccnc3N3CC(C)(C)c4ccccc43)nc2c1.Cc1ccc2sc(Cc3cccnc3N3CC(C)(C)c4ccccc43)nc2c1.

What is the InChIKey of tris(2-[[2-(3,3-dimethyl-2H-indol-1-yl)phenyl]methyl]-5-methyl-1,3-benzothiazole);bis(2-[[2-(3,3-dimethyl-2H-indol-1-yl)-3-pyridinyl]methyl]-5-methyl-1,3-benzothiazole)?

The InChIKey is LSBAOBUSYIBJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C25H24N2S.2C24H23N3S/c3*1-17-12-13-23-20(14-17)26-24(28-23)15-18-8-4-6-10-21(18)27-16-25(2,3)19-9-5-7-11-22(19)27;2*1-16-10-11-21-19(13-16)26-22(28-21)14-17-7-6-12-25-23(17)27-15-24(2,3)18-8-4-5-9-20(18)27/h3*4-14H,15-16H2,1-3H3;2*4-13H,14-15H2,1-3H3.

What are the key properties of tris(2-[[2-(3,3-dimethyl-2H-indol-1-yl)phenyl]methyl]-5-methyl-1,3-benzothiazole);bis(2-[[2-(3,3-dimethyl-2H-indol-1-yl)-3-pyridinyl]methyl]-5-methyl-1,3-benzothiazole)?

tris(2-[[2-(3,3-dimethyl-2H-indol-1-yl)phenyl]methyl]-5-methyl-1,3-benzothiazole);bis(2-[[2-(3,3-dimethyl-2H-indol-1-yl)-3-pyridinyl]methyl]-5-methyl-1,3-benzothiazole) has a molecular weight of 1924.72 g/mol, XLogP of 31.91, 15 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tris(2-[[2-(3,3-dimethyl-2H-indol-1-yl)phenyl]methyl]-5-methyl-1,3-benzothiazole);bis(2-[[2-(3,3-dimethyl-2H-indol-1-yl)-3-pyridinyl]methyl]-5-methyl-1,3-benzothiazole) is sourced from PubChem (CID 159440047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).