2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoselenazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11-oxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine;2,9-dimethyl-6-(2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline

C169H128N6O10S3Se — CID 159333825

About 2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoselenazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11-oxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine;2,9-dimethyl-6-(2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline

2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoselenazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11-oxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine;2,9-dimethyl-6-(2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline (PubChem CID 159333825) has the molecular formula C169H128N6O10S3Se and a molecular weight of 2578.08 g/mol. Its IUPAC name is 2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoselenazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11-oxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine;2,9-dimethyl-6-(2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

• Compound Name: 2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoselenazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11-oxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine;2,9-dimethyl-6-(2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline
• PubChem CID: 159333825
• Molecular Formula: C169H128N6O10S3Se
• Molecular Weight: 2578.08 g/mol
• Exact Mass: 2576.80
• IUPAC Name: 2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoselenazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11-oxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine;2,9-dimethyl-6-(2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline
• SMILES: Cc1ccc2c(c1)Cc1c(oc3ccc(C)cc13)N2c1ccccc1-c1ccccc1.Cc1ccc2c(c1)Oc1c(oc3ccc(C)cc13)N2c1ccccc1-c1ccccc1.Cc1ccc2c(c1)S(=O)(=O)c1c(oc3ccc(C)cc13)N2c1ccccc1-c1ccccc1.Cc1ccc2c(c1)S(=O)c1c(oc3ccc(C)cc13)N2c1ccccc1-c1ccccc1.Cc1ccc2c(c1)Sc1c(oc3ccc(C)cc13)N2c1ccccc1-c1ccccc1.Cc1ccc2c(c1)[Se]c1c(oc3ccc(C)cc13)N2c1ccccc1-c1ccccc1
• InChI: InChI=1S/C29H23NO.C28H21NO3S.C28H21NO2S.C28H21NO2.C28H21NOS.C28H21NOSe/c1-19-12-14-26-22(16-19)18-25-24-17-20(2)13-15-28(24)31-29(25)30(26)27-11-7-6-10-23(27)21-8-4-3-5-9-21;1-18-13-15-25-22(16-18)27-28(32-25)29(24-14-12-19(2)17-26(24)33(27,30)31)23-11-7-6-10-21(23)20-8-4-3-5-9-20;1-18-13-15-25-22(16-18)27-28(31-25)29(24-14-12-19(2)17-26(24)32(27)30)23-11-7-6-10-21(23)20-8-4-3-5-9-20;1-18-13-15-25-22(16-18)27-28(31-25)29(24-14-12-19(2)17-26(24)30-27)23-11-7-6-10-21(23)20-8-4-3-5-9-20;2*1-18-13-15-25-22(16-18)27-28(30-25)29(24-14-12-19(2)17-26(24)31-27)23-11-7-6-10-21(23)20-8-4-3-5-9-20/h3-17H,18H2,1-2H3;3-17H,1-2H3;3-17H,1-2H3;3*3-17H,1-2H3
• InChIKey: LFGVBDTXPNYGGW-UHFFFAOYSA-N
• XLogP: 46.19
• TPSA: 158.72 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2578.08
LogP ≤ 5	46.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoselenazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11-oxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine;2,9-dimethyl-6-(2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline?

The IUPAC name of 2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoselenazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11-oxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine;2,9-dimethyl-6-(2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline (CID 159333825) is 2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoselenazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11-oxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine;2,9-dimethyl-6-(2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline.

What is the SMILES notation for 2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoselenazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11-oxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine;2,9-dimethyl-6-(2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline?

The canonical SMILES for 2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoselenazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11-oxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine;2,9-dimethyl-6-(2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline is Cc1ccc2c(c1)Cc1c(oc3ccc(C)cc13)N2c1ccccc1-c1ccccc1.Cc1ccc2c(c1)Oc1c(oc3ccc(C)cc13)N2c1ccccc1-c1ccccc1.Cc1ccc2c(c1)S(=O)(=O)c1c(oc3ccc(C)cc13)N2c1ccccc1-c1ccccc1.Cc1ccc2c(c1)S(=O)c1c(oc3ccc(C)cc13)N2c1ccccc1-c1ccccc1.Cc1ccc2c(c1)Sc1c(oc3ccc(C)cc13)N2c1ccccc1-c1ccccc1.Cc1ccc2c(c1)[Se]c1c(oc3ccc(C)cc13)N2c1ccccc1-c1ccccc1.

What is the InChIKey of 2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoselenazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11-oxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine;2,9-dimethyl-6-(2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline?

The InChIKey is LFGVBDTXPNYGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO.C28H21NO3S.C28H21NO2S.C28H21NO2.C28H21NOS.C28H21NOSe/c1-19-12-14-26-22(16-19)18-25-24-17-20(2)13-15-28(24)31-29(25)30(26)27-11-7-6-10-23(27)21-8-4-3-5-9-21;1-18-13-15-25-22(16-18)27-28(32-25)29(24-14-12-19(2)17-26(24)33(27,30)31)23-11-7-6-10-21(23)20-8-4-3-5-9-20;1-18-13-15-25-22(16-18)27-28(31-25)29(24-14-12-19(2)17-26(24)32(27)30)23-11-7-6-10-21(23)20-8-4-3-5-9-20;1-18-13-15-25-22(16-18)27-28(31-25)29(24-14-12-19(2)17-26(24)30-27)23-11-7-6-10-21(23)20-8-4-3-5-9-20;2*1-18-13-15-25-22(16-18)27-28(30-25)29(24-14-12-19(2)17-26(24)31-27)23-11-7-6-10-21(23)20-8-4-3-5-9-20/h3-17H,18H2,1-2H3;3-17H,1-2H3;3-17H,1-2H3;3*3-17H,1-2H3.

What are the key properties of 2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoselenazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11-oxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine;2,9-dimethyl-6-(2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline?

2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoselenazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11-oxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine;2,9-dimethyl-6-(2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline has a molecular weight of 2578.08 g/mol, XLogP of 46.19, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoselenazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11,11-dioxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzothiazine 11-oxide;2,9-dimethyl-6-(2-phenylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine;2,9-dimethyl-6-(2-phenylphenyl)-11H-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 159333825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).