2,6-dimethyl-[1]benzothiolo[3,2-f][1,3]benzothiazole;2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,6-dimethyl-9H-[1,3]oxazolo[5,4-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2,6,9-trimethyl-[1,3]oxazolo[5,4-b]carbazole

C149H115N17O12S5 — CID 159085070

About 2,6-dimethyl-[1]benzothiolo[3,2-f][1,3]benzothiazole;2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,6-dimethyl-9H-[1,3]oxazolo[5,4-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2,6,9-trimethyl-[1,3]oxazolo[5,4-b]carbazole

2,6-dimethyl-[1]benzothiolo[3,2-f][1,3]benzothiazole;2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,6-dimethyl-9H-[1,3]oxazolo[5,4-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2,6,9-trimethyl-[1,3]oxazolo[5,4-b]carbazole (PubChem CID 159085070) has the molecular formula C149H115N17O12S5 and a molecular weight of 2496.00 g/mol. Its IUPAC name is 2,6-dimethyl-[1]benzothiolo[3,2-f][1,3]benzothiazole;2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,6-dimethyl-9H-[1,3]oxazolo[5,4-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2,6,9-trimethyl-[1,3]oxazolo[5,4-b]carbazole.

Molecular Properties

• Compound Name: 2,6-dimethyl-[1]benzothiolo[3,2-f][1,3]benzothiazole;2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,6-dimethyl-9H-[1,3]oxazolo[5,4-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2,6,9-trimethyl-[1,3]oxazolo[5,4-b]carbazole
• PubChem CID: 159085070
• Molecular Formula: C149H115N17O12S5
• Molecular Weight: 2496.00 g/mol
• Exact Mass: 2493.75
• IUPAC Name: 2,6-dimethyl-[1]benzothiolo[3,2-f][1,3]benzothiazole;2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,6-dimethyl-9H-[1,3]oxazolo[5,4-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2,6,9-trimethyl-[1,3]oxazolo[5,4-b]carbazole
• SMILES: Cc1ccc2[nH]c3cc4oc(C)nc4cc3c2c1.Cc1ccc2c(c1)c1cc3nc(C)oc3cc1n2C.Cc1ccc2sc3cc4sc(C)nc4cc3c2c1.Cc1nc2cc3c(cc2[nH]1)c1ccccc1n3C.Cc1nc2cc3c(cc2o1)[nH]c1ccccc13.Cc1nc2cc3c(cc2o1)oc1ccccc13.Cc1nc2cc3c(cc2o1)sc1ccccc13.Cc1nc2cc3c(cc2s1)oc1ccccc13.Cc1nc2cc3c4ccccc4n(C)c3cc2o1.Cc1nc2cc3c4ccccc4n(CCCS(=O)(=O)O)c3cc2o1
• InChI: InChI=1S/C17H16N2O4S.C16H14N2O.C15H13N3.2C15H12N2O.C15H11NS2.C14H10N2O.C14H9NO2.2C14H9NOS/c1-11-18-14-9-13-12-5-2-3-6-15(12)19(7-4-8-24(20,21)22)16(13)10-17(14)23-11;1-9-4-5-14-11(6-9)12-7-13-16(19-10(2)17-13)8-15(12)18(14)3;1-9-16-12-7-11-10-5-3-4-6-14(10)18(2)15(11)8-13(12)17-9;1-8-3-4-12-10(5-8)11-6-14-15(7-13(11)17-12)18-9(2)16-14;1-9-16-12-7-11-10-5-3-4-6-13(10)17(2)14(11)8-15(12)18-9;1-8-3-4-13-10(5-8)11-6-12-15(7-14(11)18-13)17-9(2)16-12;1-8-15-13-6-10-9-4-2-3-5-11(9)16-12(10)7-14(13)17-8;1-8-15-11-6-10-9-4-2-3-5-12(9)17-13(10)7-14(11)16-8;1-8-15-11-6-10-9-4-2-3-5-13(9)17-14(10)7-12(11)16-8;1-8-15-11-6-10-9-4-2-3-5-12(9)16-13(10)7-14(11)17-8/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,20,21,22);4-8H,1-3H3;3-8H,1-2H3,(H,16,17);3-7,17H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;2-7,16H,1H3;3*2-7H,1H3
• InChIKey: KBIRAKHZNRKXMY-UHFFFAOYSA-N
• XLogP: 41.08
• TPSA: 368.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 4
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2496.00
LogP ≤ 5	41.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-[1]benzothiolo[3,2-f][1,3]benzothiazole;2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,6-dimethyl-9H-[1,3]oxazolo[5,4-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2,6,9-trimethyl-[1,3]oxazolo[5,4-b]carbazole?

The IUPAC name of 2,6-dimethyl-[1]benzothiolo[3,2-f][1,3]benzothiazole;2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,6-dimethyl-9H-[1,3]oxazolo[5,4-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2,6,9-trimethyl-[1,3]oxazolo[5,4-b]carbazole (CID 159085070) is 2,6-dimethyl-[1]benzothiolo[3,2-f][1,3]benzothiazole;2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,6-dimethyl-9H-[1,3]oxazolo[5,4-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2,6,9-trimethyl-[1,3]oxazolo[5,4-b]carbazole.

What is the SMILES notation for 2,6-dimethyl-[1]benzothiolo[3,2-f][1,3]benzothiazole;2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,6-dimethyl-9H-[1,3]oxazolo[5,4-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2,6,9-trimethyl-[1,3]oxazolo[5,4-b]carbazole?

The canonical SMILES for 2,6-dimethyl-[1]benzothiolo[3,2-f][1,3]benzothiazole;2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,6-dimethyl-9H-[1,3]oxazolo[5,4-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2,6,9-trimethyl-[1,3]oxazolo[5,4-b]carbazole is Cc1ccc2[nH]c3cc4oc(C)nc4cc3c2c1.Cc1ccc2c(c1)c1cc3nc(C)oc3cc1n2C.Cc1ccc2sc3cc4sc(C)nc4cc3c2c1.Cc1nc2cc3c(cc2[nH]1)c1ccccc1n3C.Cc1nc2cc3c(cc2o1)[nH]c1ccccc13.Cc1nc2cc3c(cc2o1)oc1ccccc13.Cc1nc2cc3c(cc2o1)sc1ccccc13.Cc1nc2cc3c(cc2s1)oc1ccccc13.Cc1nc2cc3c4ccccc4n(C)c3cc2o1.Cc1nc2cc3c4ccccc4n(CCCS(=O)(=O)O)c3cc2o1.

What is the InChIKey of 2,6-dimethyl-[1]benzothiolo[3,2-f][1,3]benzothiazole;2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,6-dimethyl-9H-[1,3]oxazolo[5,4-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2,6,9-trimethyl-[1,3]oxazolo[5,4-b]carbazole?

The InChIKey is KBIRAKHZNRKXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S.C16H14N2O.C15H13N3.2C15H12N2O.C15H11NS2.C14H10N2O.C14H9NO2.2C14H9NOS/c1-11-18-14-9-13-12-5-2-3-6-15(12)19(7-4-8-24(20,21)22)16(13)10-17(14)23-11;1-9-4-5-14-11(6-9)12-7-13-16(19-10(2)17-13)8-15(12)18(14)3;1-9-16-12-7-11-10-5-3-4-6-14(10)18(2)15(11)8-13(12)17-9;1-8-3-4-12-10(5-8)11-6-14-15(7-13(11)17-12)18-9(2)16-14;1-9-16-12-7-11-10-5-3-4-6-13(10)17(2)14(11)8-15(12)18-9;1-8-3-4-13-10(5-8)11-6-12-15(7-14(11)18-13)17-9(2)16-12;1-8-15-13-6-10-9-4-2-3-5-11(9)16-12(10)7-14(13)17-8;1-8-15-11-6-10-9-4-2-3-5-12(9)17-13(10)7-14(11)16-8;1-8-15-11-6-10-9-4-2-3-5-13(9)17-14(10)7-12(11)16-8;1-8-15-11-6-10-9-4-2-3-5-12(9)16-13(10)7-14(11)17-8/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,20,21,22);4-8H,1-3H3;3-8H,1-2H3,(H,16,17);3-7,17H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;2-7,16H,1H3;3*2-7H,1H3.

What are the key properties of 2,6-dimethyl-[1]benzothiolo[3,2-f][1,3]benzothiazole;2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,6-dimethyl-9H-[1,3]oxazolo[5,4-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2,6,9-trimethyl-[1,3]oxazolo[5,4-b]carbazole?

2,6-dimethyl-[1]benzothiolo[3,2-f][1,3]benzothiazole;2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,6-dimethyl-9H-[1,3]oxazolo[5,4-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2,6,9-trimethyl-[1,3]oxazolo[5,4-b]carbazole has a molecular weight of 2496.00 g/mol, XLogP of 41.08, 4 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethyl-[1]benzothiolo[3,2-f][1,3]benzothiazole;2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,6-dimethyl-9H-[1,3]oxazolo[5,4-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2,6,9-trimethyl-[1,3]oxazolo[5,4-b]carbazole is sourced from PubChem (CID 159085070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).