2-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;2-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4,6-trimethylphenyl]-1,3-benzoxazole;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine

C111H69N15O6S6 — CID 157391481

About 2-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;2-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4,6-trimethylphenyl]-1,3-benzoxazole;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine

2-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;2-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4,6-trimethylphenyl]-1,3-benzoxazole;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 157391481) has the molecular formula C111H69N15O6S6 and a molecular weight of 1901.27 g/mol. Its IUPAC name is 2-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;2-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4,6-trimethylphenyl]-1,3-benzoxazole;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 2-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;2-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4,6-trimethylphenyl]-1,3-benzoxazole;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
• PubChem CID: 157391481
• Molecular Formula: C111H69N15O6S6
• Molecular Weight: 1901.27 g/mol
• Exact Mass: 1899.39
• IUPAC Name: 2-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;2-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4,6-trimethylphenyl]-1,3-benzoxazole;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
• SMILES: Cc1c(-c2nc3ccccc3o2)c(C)c(-c2nc3ccccc3o2)c(C)c1-c1nc2ccccc2o1.Cc1c(-c2nc3cccnc3s2)c(C)c(-c2nc3cccnc3s2)c(C)c1-c1nc2cccnc2s1.c1ccc2oc(-c3cc(-c4nc5ccccc5o4)cc(-c4nc5ccccc5o4)c3)nc2c1.c1ccc2sc(-c3cc(-c4nc5ccccc5s4)cc(-c4nc5ccccc5s4)c3)nc2c1
• InChI: InChI=1S/C30H21N3O3.C27H18N6S3.C27H15N3O3.C27H15N3S3/c1-16-25(28-31-19-10-4-7-13-22(19)34-28)17(2)27(30-33-21-12-6-9-15-24(21)36-30)18(3)26(16)29-32-20-11-5-8-14-23(20)35-29;1-13-19(25-31-16-7-4-10-28-22(16)34-25)14(2)21(27-33-18-9-6-12-30-24(18)36-27)15(3)20(13)26-32-17-8-5-11-29-23(17)35-26;2*1-4-10-22-19(7-1)28-25(31-22)16-13-17(26-29-20-8-2-5-11-23(20)32-26)15-18(14-16)27-30-21-9-3-6-12-24(21)33-27/h4-15H,1-3H3;4-12H,1-3H3;2*1-15H
• InChIKey: BMBFBPYLWKTAQM-UHFFFAOYSA-N
• XLogP: 31.29
• TPSA: 272.19 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1901.27
LogP ≤ 5	31.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;2-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4,6-trimethylphenyl]-1,3-benzoxazole;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine?

The IUPAC name of 2-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;2-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4,6-trimethylphenyl]-1,3-benzoxazole;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine (CID 157391481) is 2-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;2-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4,6-trimethylphenyl]-1,3-benzoxazole;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine.

What is the SMILES notation for 2-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;2-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4,6-trimethylphenyl]-1,3-benzoxazole;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine?

The canonical SMILES for 2-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;2-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4,6-trimethylphenyl]-1,3-benzoxazole;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine is Cc1c(-c2nc3ccccc3o2)c(C)c(-c2nc3ccccc3o2)c(C)c1-c1nc2ccccc2o1.Cc1c(-c2nc3cccnc3s2)c(C)c(-c2nc3cccnc3s2)c(C)c1-c1nc2cccnc2s1.c1ccc2oc(-c3cc(-c4nc5ccccc5o4)cc(-c4nc5ccccc5o4)c3)nc2c1.c1ccc2sc(-c3cc(-c4nc5ccccc5s4)cc(-c4nc5ccccc5s4)c3)nc2c1.

What is the InChIKey of 2-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;2-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4,6-trimethylphenyl]-1,3-benzoxazole;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine?

The InChIKey is BMBFBPYLWKTAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O3.C27H18N6S3.C27H15N3O3.C27H15N3S3/c1-16-25(28-31-19-10-4-7-13-22(19)34-28)17(2)27(30-33-21-12-6-9-15-24(21)36-30)18(3)26(16)29-32-20-11-5-8-14-23(20)35-29;1-13-19(25-31-16-7-4-10-28-22(16)34-25)14(2)21(27-33-18-9-6-12-30-24(18)36-27)15(3)20(13)26-32-17-8-5-11-29-23(17)35-26;2*1-4-10-22-19(7-1)28-25(31-22)16-13-17(26-29-20-8-2-5-11-23(20)32-26)15-18(14-16)27-30-21-9-3-6-12-24(21)33-27/h4-15H,1-3H3;4-12H,1-3H3;2*1-15H.

What are the key properties of 2-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;2-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4,6-trimethylphenyl]-1,3-benzoxazole;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine?

2-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;2-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4,6-trimethylphenyl]-1,3-benzoxazole;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 1901.27 g/mol, XLogP of 31.29, 12 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazole;2-[3,5-bis(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole;2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4,6-trimethylphenyl]-1,3-benzoxazole;2-[2,4,6-trimethyl-3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 157391481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).