2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;5,11-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,11-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,6,7,9,9-hexamethylfluorene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzo-p-dioxin;2,3,7,8-tetramethyldibenzothiophene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;2,7,9-trimethylcarbazole;3,7,10-trimethylphenoxazine

C150H147N7O8S3 — CID 158172285

About 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;5,11-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,11-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,6,7,9,9-hexamethylfluorene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzo-p-dioxin;2,3,7,8-tetramethyldibenzothiophene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;2,7,9-trimethylcarbazole;3,7,10-trimethylphenoxazine

2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;5,11-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,11-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,6,7,9,9-hexamethylfluorene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzo-p-dioxin;2,3,7,8-tetramethyldibenzothiophene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;2,7,9-trimethylcarbazole;3,7,10-trimethylphenoxazine (PubChem CID 158172285) has the molecular formula C150H147N7O8S3 and a molecular weight of 2272.07 g/mol. Its IUPAC name is 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;5,11-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,11-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,6,7,9,9-hexamethylfluorene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzo-p-dioxin;2,3,7,8-tetramethyldibenzothiophene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;2,7,9-trimethylcarbazole;3,7,10-trimethylphenoxazine.

Molecular Properties

• Compound Name: 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;5,11-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,11-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,6,7,9,9-hexamethylfluorene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzo-p-dioxin;2,3,7,8-tetramethyldibenzothiophene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;2,7,9-trimethylcarbazole;3,7,10-trimethylphenoxazine
• PubChem CID: 158172285
• Molecular Formula: C150H147N7O8S3
• Molecular Weight: 2272.07 g/mol
• Exact Mass: 2270.05
• IUPAC Name: 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;5,11-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,11-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,6,7,9,9-hexamethylfluorene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzo-p-dioxin;2,3,7,8-tetramethyldibenzothiophene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;2,7,9-trimethylcarbazole;3,7,10-trimethylphenoxazine
• SMILES: Cc1cc2c(cc1C)C(C)(C)c1cc(C)c(C)cc1-2.Cc1cc2c(cc1C)Oc1cc(C)c(C)cc1O2.Cc1cc2c(cc1C)S(=O)(=O)c1cc(C)c(C)cc1-2.Cc1cc2oc3cc(C)c(C)cc3c2cc1C.Cc1cc2sc3cc(C)c(C)cc3c2cc1C.Cc1ccc2c(c1)Oc1cc(C)ccc1N2C.Cc1ccc2c(c1)oc1nc(C)ccc12.Cc1ccc2c(n1)oc1nc(C)ccc12.Cc1ccc2c(n1)sc1nc(C)ccc12.Cc1ccc2c3ccc(C)cc3n(C)c2c1
• InChI: InChI=1S/C19H22.C16H16O2S.C16H16O2.C16H16O.C16H16S.C15H15NO.C15H15N.C13H11NO.C12H10N2O.C12H10N2S/c1-11-7-15-16-8-12(2)14(4)10-18(16)19(5,6)17(15)9-13(11)3;1-9-5-13-14-6-10(2)12(4)8-16(14)19(17,18)15(13)7-11(9)3;1-9-5-13-14(6-10(9)2)18-16-8-12(4)11(3)7-15(16)17-13;2*1-9-5-13-14-6-10(2)12(4)8-16(14)17-15(13)7-11(9)3;1-10-4-6-12-14(8-10)17-15-9-11(2)5-7-13(15)16(12)3;1-10-4-6-12-13-7-5-11(2)9-15(13)16(3)14(12)8-10;1-8-3-5-10-11-6-4-9(2)14-13(11)15-12(10)7-8;2*1-7-3-5-9-10-6-4-8(2)14-12(10)15-11(9)13-7/h7-10H,1-6H3;5-8H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;4-9H,1-3H3;4-9H,1-3H3;3-7H,1-2H3;2*3-6H,1-2H3
• InChIKey: FXPFVQBKSMWIPV-UHFFFAOYSA-N
• XLogP: 42.06
• TPSA: 173.87 Ų
• H-Bond Acceptors: 17
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2272.07
LogP ≤ 5	42.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;5,11-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,11-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,6,7,9,9-hexamethylfluorene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzo-p-dioxin;2,3,7,8-tetramethyldibenzothiophene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;2,7,9-trimethylcarbazole;3,7,10-trimethylphenoxazine?

The IUPAC name of 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;5,11-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,11-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,6,7,9,9-hexamethylfluorene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzo-p-dioxin;2,3,7,8-tetramethyldibenzothiophene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;2,7,9-trimethylcarbazole;3,7,10-trimethylphenoxazine (CID 158172285) is 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;5,11-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,11-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,6,7,9,9-hexamethylfluorene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzo-p-dioxin;2,3,7,8-tetramethyldibenzothiophene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;2,7,9-trimethylcarbazole;3,7,10-trimethylphenoxazine.

What is the SMILES notation for 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;5,11-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,11-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,6,7,9,9-hexamethylfluorene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzo-p-dioxin;2,3,7,8-tetramethyldibenzothiophene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;2,7,9-trimethylcarbazole;3,7,10-trimethylphenoxazine?

The canonical SMILES for 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;5,11-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,11-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,6,7,9,9-hexamethylfluorene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzo-p-dioxin;2,3,7,8-tetramethyldibenzothiophene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;2,7,9-trimethylcarbazole;3,7,10-trimethylphenoxazine is Cc1cc2c(cc1C)C(C)(C)c1cc(C)c(C)cc1-2.Cc1cc2c(cc1C)Oc1cc(C)c(C)cc1O2.Cc1cc2c(cc1C)S(=O)(=O)c1cc(C)c(C)cc1-2.Cc1cc2oc3cc(C)c(C)cc3c2cc1C.Cc1cc2sc3cc(C)c(C)cc3c2cc1C.Cc1ccc2c(c1)Oc1cc(C)ccc1N2C.Cc1ccc2c(c1)oc1nc(C)ccc12.Cc1ccc2c(n1)oc1nc(C)ccc12.Cc1ccc2c(n1)sc1nc(C)ccc12.Cc1ccc2c3ccc(C)cc3n(C)c2c1.

What is the InChIKey of 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;5,11-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,11-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,6,7,9,9-hexamethylfluorene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzo-p-dioxin;2,3,7,8-tetramethyldibenzothiophene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;2,7,9-trimethylcarbazole;3,7,10-trimethylphenoxazine?

The InChIKey is FXPFVQBKSMWIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22.C16H16O2S.C16H16O2.C16H16O.C16H16S.C15H15NO.C15H15N.C13H11NO.C12H10N2O.C12H10N2S/c1-11-7-15-16-8-12(2)14(4)10-18(16)19(5,6)17(15)9-13(11)3;1-9-5-13-14-6-10(2)12(4)8-16(14)19(17,18)15(13)7-11(9)3;1-9-5-13-14(6-10(9)2)18-16-8-12(4)11(3)7-15(16)17-13;2*1-9-5-13-14-6-10(2)12(4)8-16(14)17-15(13)7-11(9)3;1-10-4-6-12-14(8-10)17-15-9-11(2)5-7-13(15)16(12)3;1-10-4-6-12-13-7-5-11(2)9-15(13)16(3)14(12)8-10;1-8-3-5-10-11-6-4-9(2)14-13(11)15-12(10)7-8;2*1-7-3-5-9-10-6-4-8(2)14-12(10)15-11(9)13-7/h7-10H,1-6H3;5-8H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;4-9H,1-3H3;4-9H,1-3H3;3-7H,1-2H3;2*3-6H,1-2H3.

What are the key properties of 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;5,11-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,11-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,6,7,9,9-hexamethylfluorene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzo-p-dioxin;2,3,7,8-tetramethyldibenzothiophene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;2,7,9-trimethylcarbazole;3,7,10-trimethylphenoxazine?

2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;5,11-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,11-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,6,7,9,9-hexamethylfluorene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzo-p-dioxin;2,3,7,8-tetramethyldibenzothiophene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;2,7,9-trimethylcarbazole;3,7,10-trimethylphenoxazine has a molecular weight of 2272.07 g/mol, XLogP of 42.06, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;5,11-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5,11-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,3,6,7,9,9-hexamethylfluorene;2,3,7,8-tetramethyldibenzofuran;2,3,7,8-tetramethyldibenzo-p-dioxin;2,3,7,8-tetramethyldibenzothiophene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;2,7,9-trimethylcarbazole;3,7,10-trimethylphenoxazine is sourced from PubChem (CID 158172285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).