3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethylfuro[3,2-f]indole;6,7-dimethylfuro[3,2-f]indole;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2,3,8,9-tetramethyl-1,10-phenanthroline;3,6,9-trimethylcarbazole

C116H108N14O4S — CID 158167481

About 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethylfuro[3,2-f]indole;6,7-dimethylfuro[3,2-f]indole;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2,3,8,9-tetramethyl-1,10-phenanthroline;3,6,9-trimethylcarbazole

3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethylfuro[3,2-f]indole;6,7-dimethylfuro[3,2-f]indole;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2,3,8,9-tetramethyl-1,10-phenanthroline;3,6,9-trimethylcarbazole (PubChem CID 158167481) has the molecular formula C116H108N14O4S and a molecular weight of 1794.30 g/mol. Its IUPAC name is 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethylfuro[3,2-f]indole;6,7-dimethylfuro[3,2-f]indole;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2,3,8,9-tetramethyl-1,10-phenanthroline;3,6,9-trimethylcarbazole.

Molecular Properties

• Compound Name: 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethylfuro[3,2-f]indole;6,7-dimethylfuro[3,2-f]indole;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2,3,8,9-tetramethyl-1,10-phenanthroline;3,6,9-trimethylcarbazole
• PubChem CID: 158167481
• Molecular Formula: C116H108N14O4S
• Molecular Weight: 1794.30 g/mol
• Exact Mass: 1792.84
• IUPAC Name: 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethylfuro[3,2-f]indole;6,7-dimethylfuro[3,2-f]indole;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2,3,8,9-tetramethyl-1,10-phenanthroline;3,6,9-trimethylcarbazole
• SMILES: Cc1cc2cc3ccn(C)c3cc2o1.Cc1cc2cc3ccoc3cc2n1C.Cc1cc2ccc3cc(C)c(C)nc3c2nc1C.Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc2c(c1)c1cc(C)ccc1n2C.Cc1ccc2oc3ncc(C)cc3c2c1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cnc2oc3ncc(C)cc3c2c1.Cc1cnc2sc3ncc(C)cc3c2c1
• InChI: InChI=1S/C16H16N2.C15H15N.C13H11NO.C12H10N2O.C12H10N2S.2C12H12N2.2C12H11NO/c1-9-7-13-5-6-14-8-10(2)12(4)18-16(14)15(13)17-11(9)3;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-8-3-4-12-10(5-8)11-6-9(2)7-14-13(11)15-12;2*1-7-3-9-10-4-8(2)6-14-12(10)15-11(9)13-5-7;1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12;1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;1-8-5-10-6-9-3-4-14-12(9)7-11(10)13(8)2;1-8-5-10-6-9-3-4-13(2)11(9)7-12(10)14-8/h5-8H,1-4H3;4-9H,1-3H3;3-7H,1-2H3;2*3-6H,1-2H3;2*3-8H,1-2H3;2*3-7H,1-2H3
• InChIKey: FXAISWIMICZPNX-UHFFFAOYSA-N
• XLogP: 30.00
• TPSA: 209.14 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 2
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1794.30
LogP ≤ 5	30.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethylfuro[3,2-f]indole;6,7-dimethylfuro[3,2-f]indole;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2,3,8,9-tetramethyl-1,10-phenanthroline;3,6,9-trimethylcarbazole?

The IUPAC name of 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethylfuro[3,2-f]indole;6,7-dimethylfuro[3,2-f]indole;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2,3,8,9-tetramethyl-1,10-phenanthroline;3,6,9-trimethylcarbazole (CID 158167481) is 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethylfuro[3,2-f]indole;6,7-dimethylfuro[3,2-f]indole;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2,3,8,9-tetramethyl-1,10-phenanthroline;3,6,9-trimethylcarbazole.

What is the SMILES notation for 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethylfuro[3,2-f]indole;6,7-dimethylfuro[3,2-f]indole;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2,3,8,9-tetramethyl-1,10-phenanthroline;3,6,9-trimethylcarbazole?

The canonical SMILES for 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethylfuro[3,2-f]indole;6,7-dimethylfuro[3,2-f]indole;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2,3,8,9-tetramethyl-1,10-phenanthroline;3,6,9-trimethylcarbazole is Cc1cc2cc3ccn(C)c3cc2o1.Cc1cc2cc3ccoc3cc2n1C.Cc1cc2ccc3cc(C)c(C)nc3c2nc1C.Cc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc2c(c1)c1cc(C)ccc1n2C.Cc1ccc2oc3ncc(C)cc3c2c1.Cc1cccc(-c2cccc(C)n2)n1.Cc1cnc2oc3ncc(C)cc3c2c1.Cc1cnc2sc3ncc(C)cc3c2c1.

What is the InChIKey of 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethylfuro[3,2-f]indole;6,7-dimethylfuro[3,2-f]indole;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2,3,8,9-tetramethyl-1,10-phenanthroline;3,6,9-trimethylcarbazole?

The InChIKey is FXAISWIMICZPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2.C15H15N.C13H11NO.C12H10N2O.C12H10N2S.2C12H12N2.2C12H11NO/c1-9-7-13-5-6-14-8-10(2)12(4)18-16(14)15(13)17-11(9)3;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-8-3-4-12-10(5-8)11-6-9(2)7-14-13(11)15-12;2*1-7-3-9-10-4-8(2)6-14-12(10)15-11(9)13-5-7;1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12;1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;1-8-5-10-6-9-3-4-14-12(9)7-11(10)13(8)2;1-8-5-10-6-9-3-4-13(2)11(9)7-12(10)14-8/h5-8H,1-4H3;4-9H,1-3H3;3-7H,1-2H3;2*3-6H,1-2H3;2*3-8H,1-2H3;2*3-7H,1-2H3.

What are the key properties of 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethylfuro[3,2-f]indole;6,7-dimethylfuro[3,2-f]indole;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2,3,8,9-tetramethyl-1,10-phenanthroline;3,6,9-trimethylcarbazole?

3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethylfuro[3,2-f]indole;6,7-dimethylfuro[3,2-f]indole;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2,3,8,9-tetramethyl-1,10-phenanthroline;3,6,9-trimethylcarbazole has a molecular weight of 1794.30 g/mol, XLogP of 30.00, 2 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethylfuro[3,2-f]indole;6,7-dimethylfuro[3,2-f]indole;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4,12-dimethyl-8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine;2,3,8,9-tetramethyl-1,10-phenanthroline;3,6,9-trimethylcarbazole is sourced from PubChem (CID 158167481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).