2,5-dimethyl-1-benzothiophene;9,14-dimethyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;3,6-dimethylpyridazine;1-methylindole;2-methyl-1,3-oxazole;4-methylpyridazine;3-methylquinoline;1-methylquinolin-4-one;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzothiophene;3,6,9-trimethylcarbazole

C132H128N14O3S2 — CID 158999532

About 2,5-dimethyl-1-benzothiophene;9,14-dimethyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;3,6-dimethylpyridazine;1-methylindole;2-methyl-1,3-oxazole;4-methylpyridazine;3-methylquinoline;1-methylquinolin-4-one;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzothiophene;3,6,9-trimethylcarbazole

2,5-dimethyl-1-benzothiophene;9,14-dimethyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;3,6-dimethylpyridazine;1-methylindole;2-methyl-1,3-oxazole;4-methylpyridazine;3-methylquinoline;1-methylquinolin-4-one;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzothiophene;3,6,9-trimethylcarbazole (PubChem CID 158999532) has the molecular formula C132H128N14O3S2 and a molecular weight of 2022.70 g/mol. Its IUPAC name is 2,5-dimethyl-1-benzothiophene;9,14-dimethyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;3,6-dimethylpyridazine;1-methylindole;2-methyl-1,3-oxazole;4-methylpyridazine;3-methylquinoline;1-methylquinolin-4-one;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzothiophene;3,6,9-trimethylcarbazole.

Molecular Properties

• Compound Name: 2,5-dimethyl-1-benzothiophene;9,14-dimethyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;3,6-dimethylpyridazine;1-methylindole;2-methyl-1,3-oxazole;4-methylpyridazine;3-methylquinoline;1-methylquinolin-4-one;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzothiophene;3,6,9-trimethylcarbazole
• PubChem CID: 158999532
• Molecular Formula: C132H128N14O3S2
• Molecular Weight: 2022.70 g/mol
• Exact Mass: 2020.97
• IUPAC Name: 2,5-dimethyl-1-benzothiophene;9,14-dimethyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;3,6-dimethylpyridazine;1-methylindole;2-methyl-1,3-oxazole;4-methylpyridazine;3-methylquinoline;1-methylquinolin-4-one;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzothiophene;3,6,9-trimethylcarbazole
• SMILES: Cc1cc2oc3cc(C)c(C)cc3c2cc1C.Cc1cc2sc3cc(C)c(C)cc3c2cc1C.Cc1ccc(C)nn1.Cc1ccc2c(c1)c1cc(C)ccc1n2C.Cc1ccc2sc(C)cc2c1.Cc1ccnnc1.Cc1cnc2ccccc2c1.Cc1ncco1.Cn1c2ccccc2c2c3c4ccccc4n(C)c3ccc21.Cn1c2ccncc2c2cnccc21.Cn1ccc(=O)c2ccccc21.Cn1ccc2ccccc21
• InChI: InChI=1S/C20H16N2.C16H16O.C16H16S.C15H15N.C11H9N3.C10H9NO.C10H9N.C10H10S.C9H9N.C6H8N2.C5H6N2.C4H5NO/c1-21-15-9-5-3-7-13(15)19-17(21)11-12-18-20(19)14-8-4-6-10-16(14)22(18)2;2*1-9-5-13-14-6-10(2)12(4)8-16(14)17-15(13)7-11(9)3;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-14-10-2-4-12-6-8(10)9-7-13-5-3-11(9)14;1-11-7-6-10(12)8-4-2-3-5-9(8)11;1-8-6-9-4-2-3-5-10(9)11-7-8;1-7-3-4-10-9(5-7)6-8(2)11-10;1-10-7-6-8-4-2-3-5-9(8)10;1-5-3-4-6(2)8-7-5;1-5-2-3-6-7-4-5;1-4-5-2-3-6-4/h3-12H,1-2H3;2*5-8H,1-4H3;4-9H,1-3H3;2-7H,1H3;2-7H,1H3;2-7H,1H3;3-6H,1-2H3;2-7H,1H3;3-4H,1-2H3;2-4H,1H3;2-3H,1H3
• InChIKey: JRECILSUZFKWTN-UHFFFAOYSA-N
• XLogP: 33.79
• TPSA: 176.05 Ų
• H-Bond Acceptors: 19
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2022.70
LogP ≤ 5	33.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-benzothiophene;9,14-dimethyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;3,6-dimethylpyridazine;1-methylindole;2-methyl-1,3-oxazole;4-methylpyridazine;3-methylquinoline;1-methylquinolin-4-one;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzothiophene;3,6,9-trimethylcarbazole?

The IUPAC name of 2,5-dimethyl-1-benzothiophene;9,14-dimethyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;3,6-dimethylpyridazine;1-methylindole;2-methyl-1,3-oxazole;4-methylpyridazine;3-methylquinoline;1-methylquinolin-4-one;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzothiophene;3,6,9-trimethylcarbazole (CID 158999532) is 2,5-dimethyl-1-benzothiophene;9,14-dimethyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;3,6-dimethylpyridazine;1-methylindole;2-methyl-1,3-oxazole;4-methylpyridazine;3-methylquinoline;1-methylquinolin-4-one;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzothiophene;3,6,9-trimethylcarbazole.

What is the SMILES notation for 2,5-dimethyl-1-benzothiophene;9,14-dimethyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;3,6-dimethylpyridazine;1-methylindole;2-methyl-1,3-oxazole;4-methylpyridazine;3-methylquinoline;1-methylquinolin-4-one;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzothiophene;3,6,9-trimethylcarbazole?

The canonical SMILES for 2,5-dimethyl-1-benzothiophene;9,14-dimethyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;3,6-dimethylpyridazine;1-methylindole;2-methyl-1,3-oxazole;4-methylpyridazine;3-methylquinoline;1-methylquinolin-4-one;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzothiophene;3,6,9-trimethylcarbazole is Cc1cc2oc3cc(C)c(C)cc3c2cc1C.Cc1cc2sc3cc(C)c(C)cc3c2cc1C.Cc1ccc(C)nn1.Cc1ccc2c(c1)c1cc(C)ccc1n2C.Cc1ccc2sc(C)cc2c1.Cc1ccnnc1.Cc1cnc2ccccc2c1.Cc1ncco1.Cn1c2ccccc2c2c3c4ccccc4n(C)c3ccc21.Cn1c2ccncc2c2cnccc21.Cn1ccc(=O)c2ccccc21.Cn1ccc2ccccc21.

What is the InChIKey of 2,5-dimethyl-1-benzothiophene;9,14-dimethyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;3,6-dimethylpyridazine;1-methylindole;2-methyl-1,3-oxazole;4-methylpyridazine;3-methylquinoline;1-methylquinolin-4-one;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzothiophene;3,6,9-trimethylcarbazole?

The InChIKey is JRECILSUZFKWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2.C16H16O.C16H16S.C15H15N.C11H9N3.C10H9NO.C10H9N.C10H10S.C9H9N.C6H8N2.C5H6N2.C4H5NO/c1-21-15-9-5-3-7-13(15)19-17(21)11-12-18-20(19)14-8-4-6-10-16(14)22(18)2;2*1-9-5-13-14-6-10(2)12(4)8-16(14)17-15(13)7-11(9)3;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-14-10-2-4-12-6-8(10)9-7-13-5-3-11(9)14;1-11-7-6-10(12)8-4-2-3-5-9(8)11;1-8-6-9-4-2-3-5-10(9)11-7-8;1-7-3-4-10-9(5-7)6-8(2)11-10;1-10-7-6-8-4-2-3-5-9(8)10;1-5-3-4-6(2)8-7-5;1-5-2-3-6-7-4-5;1-4-5-2-3-6-4/h3-12H,1-2H3;2*5-8H,1-4H3;4-9H,1-3H3;2-7H,1H3;2-7H,1H3;2-7H,1H3;3-6H,1-2H3;2-7H,1H3;3-4H,1-2H3;2-4H,1H3;2-3H,1H3.

What are the key properties of 2,5-dimethyl-1-benzothiophene;9,14-dimethyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;3,6-dimethylpyridazine;1-methylindole;2-methyl-1,3-oxazole;4-methylpyridazine;3-methylquinoline;1-methylquinolin-4-one;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzothiophene;3,6,9-trimethylcarbazole?

2,5-dimethyl-1-benzothiophene;9,14-dimethyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;3,6-dimethylpyridazine;1-methylindole;2-methyl-1,3-oxazole;4-methylpyridazine;3-methylquinoline;1-methylquinolin-4-one;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzothiophene;3,6,9-trimethylcarbazole has a molecular weight of 2022.70 g/mol, XLogP of 33.79, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1-benzothiophene;9,14-dimethyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;3,6-dimethylpyridazine;1-methylindole;2-methyl-1,3-oxazole;4-methylpyridazine;3-methylquinoline;1-methylquinolin-4-one;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzothiophene;3,6,9-trimethylcarbazole is sourced from PubChem (CID 158999532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).