bis(2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile);1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylthiophen-2-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile

C122H102N14O12S2 — CID 160803269

About bis(2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile);1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylthiophen-2-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile

bis(2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile);1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylthiophen-2-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile (PubChem CID 160803269) has the molecular formula C122H102N14O12S2 and a molecular weight of 2020.38 g/mol. Its IUPAC name is bis(2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile);1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylthiophen-2-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile.

Molecular Properties

• Compound Name: bis(2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile);1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylthiophen-2-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile
• PubChem CID: 160803269
• Molecular Formula: C122H102N14O12S2
• Molecular Weight: 2020.38 g/mol
• Exact Mass: 2018.72
• IUPAC Name: bis(2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile);1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylthiophen-2-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile
• SMILES: CCn1c(-c2cc(C)cs2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(c2)N(C)C(=O)CO3)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(c2)NC(=O)CO3)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc3c2oc2ccccc23)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc3c2oc2ccccc23)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccs2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/2C24H18N2O2.C21H19N3O3.C20H17N3O3.C17H16N2OS.C16H14N2OS/c2*1-3-26-21-13-15(27-2)11-12-16(21)20(14-25)23(26)19-9-6-8-18-17-7-4-5-10-22(17)28-24(18)19;1-4-24-17-10-14(26-3)6-7-15(17)16(11-22)21(24)13-5-8-19-18(9-13)23(2)20(25)12-27-19;1-3-23-17-9-13(25-2)5-6-14(17)15(10-21)20(23)12-4-7-18-16(8-12)22-19(24)11-26-18;1-4-19-15-8-12(20-3)5-6-13(15)14(9-18)17(19)16-7-11(2)10-21-16;1-3-18-14-9-11(19-2)6-7-12(14)13(10-17)16(18)15-5-4-8-20-15/h2*4-13H,3H2,1-2H3;5-10H,4,12H2,1-3H3;4-9H,3,11H2,1-2H3,(H,22,24);5-8,10H,4H2,1-3H3;4-9H,3H2,1-2H3
• InChIKey: SDJBDAMCNQQDRM-UHFFFAOYSA-N
• XLogP: 28.17
• TPSA: 321.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2020.38
LogP ≤ 5	28.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of bis(2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile);1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylthiophen-2-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile?

The IUPAC name of bis(2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile);1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylthiophen-2-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile (CID 160803269) is bis(2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile);1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylthiophen-2-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile.

What is the SMILES notation for bis(2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile);1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylthiophen-2-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile?

The canonical SMILES for bis(2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile);1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylthiophen-2-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile is CCn1c(-c2cc(C)cs2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(c2)N(C)C(=O)CO3)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(c2)NC(=O)CO3)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc3c2oc2ccccc23)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc3c2oc2ccccc23)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccs2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of bis(2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile);1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylthiophen-2-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile?

The InChIKey is SDJBDAMCNQQDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H18N2O2.C21H19N3O3.C20H17N3O3.C17H16N2OS.C16H14N2OS/c2*1-3-26-21-13-15(27-2)11-12-16(21)20(14-25)23(26)19-9-6-8-18-17-7-4-5-10-22(17)28-24(18)19;1-4-24-17-10-14(26-3)6-7-15(17)16(11-22)21(24)13-5-8-19-18(9-13)23(2)20(25)12-27-19;1-3-23-17-9-13(25-2)5-6-14(17)15(10-21)20(23)12-4-7-18-16(8-12)22-19(24)11-26-18;1-4-19-15-8-12(20-3)5-6-13(15)14(9-18)17(19)16-7-11(2)10-21-16;1-3-18-14-9-11(19-2)6-7-12(14)13(10-17)16(18)15-5-4-8-20-15/h2*4-13H,3H2,1-2H3;5-10H,4,12H2,1-3H3;4-9H,3,11H2,1-2H3,(H,22,24);5-8,10H,4H2,1-3H3;4-9H,3H2,1-2H3.

What are the key properties of bis(2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile);1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylthiophen-2-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile?

bis(2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile);1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylthiophen-2-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile has a molecular weight of 2020.38 g/mol, XLogP of 28.17, 18 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile);1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylthiophen-2-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile is sourced from PubChem (CID 160803269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).