6-(1,6-dimethyl-4-phenylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-4-propan-2-yl-5-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-5-propan-2-yl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;7-methyl-4-phenyl-6-(1,4,6-trimethyl-5-trimethylsilylpyridin-1-ium-2-yl)dibenzofuran-2-carbonitrile

C130H126N8O4Si3+4 — CID 163961961

About 6-(1,6-dimethyl-4-phenylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-4-propan-2-yl-5-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-5-propan-2-yl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;7-methyl-4-phenyl-6-(1,4,6-trimethyl-5-trimethylsilylpyridin-1-ium-2-yl)dibenzofuran-2-carbonitrile

6-(1,6-dimethyl-4-phenylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-4-propan-2-yl-5-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-5-propan-2-yl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;7-methyl-4-phenyl-6-(1,4,6-trimethyl-5-trimethylsilylpyridin-1-ium-2-yl)dibenzofuran-2-carbonitrile (PubChem CID 163961961) has the molecular formula C130H126N8O4Si3+4 and a molecular weight of 1948.75 g/mol. Its IUPAC name is 6-(1,6-dimethyl-4-phenylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-4-propan-2-yl-5-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-5-propan-2-yl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;7-methyl-4-phenyl-6-(1,4,6-trimethyl-5-trimethylsilylpyridin-1-ium-2-yl)dibenzofuran-2-carbonitrile.

Molecular Properties

• Compound Name: 6-(1,6-dimethyl-4-phenylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-4-propan-2-yl-5-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-5-propan-2-yl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;7-methyl-4-phenyl-6-(1,4,6-trimethyl-5-trimethylsilylpyridin-1-ium-2-yl)dibenzofuran-2-carbonitrile
• PubChem CID: 163961961
• Molecular Formula: C130H126N8O4Si3+4
• Molecular Weight: 1948.75 g/mol
• Exact Mass: 1946.92
• IUPAC Name: 6-(1,6-dimethyl-4-phenylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-4-propan-2-yl-5-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-5-propan-2-yl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;7-methyl-4-phenyl-6-(1,4,6-trimethyl-5-trimethylsilylpyridin-1-ium-2-yl)dibenzofuran-2-carbonitrile
• SMILES: Cc1cc(-c2c(C)ccc3c2oc2c(-c4ccccc4)cc(C#N)cc23)[n+](C)c(C)c1[Si](C)(C)C.Cc1ccc2c(oc3c(-c4ccccc4)cc(C#N)cc32)c1-c1cc(-c2ccccc2)cc(C)[n+]1C.Cc1ccc2c(oc3c(-c4ccccc4)cc(C#N)cc32)c1-c1cc(C(C)C)c([Si](C)(C)C)c(C)[n+]1C.Cc1ccc2c(oc3c(-c4ccccc4)cc(C#N)cc32)c1-c1cc([Si](C)(C)C)c(C(C)C)c(C)[n+]1C
• InChI: InChI=1S/2C33H35N2OSi.C33H25N2O.C31H31N2OSi/c1-20(2)26-18-29(35(5)22(4)33(26)37(6,7)8)30-21(3)14-15-25-28-17-23(19-34)16-27(31(28)36-32(25)30)24-12-10-9-11-13-24;1-20(2)30-22(4)35(5)28(18-29(30)37(6,7)8)31-21(3)14-15-25-27-17-23(19-34)16-26(32(27)36-33(25)31)24-12-10-9-11-13-24;1-21-14-15-27-29-18-23(20-34)17-28(25-12-8-5-9-13-25)32(29)36-33(27)31(21)30-19-26(16-22(2)35(30)3)24-10-6-4-7-11-24;1-19-13-14-24-26-17-22(18-32)16-25(23-11-9-8-10-12-23)29(26)34-30(24)28(19)27-15-20(2)31(35(5,6)7)21(3)33(27)4/h2*9-18,20H,1-8H3;4-19H,1-3H3;8-17H,1-7H3/q4*+1
• InChIKey: JPYLTSPVUNTMLP-UHFFFAOYSA-N
• XLogP: 30.79
• TPSA: 163.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1948.75
LogP ≤ 5	30.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(1,6-dimethyl-4-phenylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-4-propan-2-yl-5-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-5-propan-2-yl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;7-methyl-4-phenyl-6-(1,4,6-trimethyl-5-trimethylsilylpyridin-1-ium-2-yl)dibenzofuran-2-carbonitrile?

The IUPAC name of 6-(1,6-dimethyl-4-phenylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-4-propan-2-yl-5-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-5-propan-2-yl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;7-methyl-4-phenyl-6-(1,4,6-trimethyl-5-trimethylsilylpyridin-1-ium-2-yl)dibenzofuran-2-carbonitrile (CID 163961961) is 6-(1,6-dimethyl-4-phenylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-4-propan-2-yl-5-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-5-propan-2-yl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;7-methyl-4-phenyl-6-(1,4,6-trimethyl-5-trimethylsilylpyridin-1-ium-2-yl)dibenzofuran-2-carbonitrile.

What is the SMILES notation for 6-(1,6-dimethyl-4-phenylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-4-propan-2-yl-5-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-5-propan-2-yl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;7-methyl-4-phenyl-6-(1,4,6-trimethyl-5-trimethylsilylpyridin-1-ium-2-yl)dibenzofuran-2-carbonitrile?

The canonical SMILES for 6-(1,6-dimethyl-4-phenylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-4-propan-2-yl-5-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-5-propan-2-yl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;7-methyl-4-phenyl-6-(1,4,6-trimethyl-5-trimethylsilylpyridin-1-ium-2-yl)dibenzofuran-2-carbonitrile is Cc1cc(-c2c(C)ccc3c2oc2c(-c4ccccc4)cc(C#N)cc23)[n+](C)c(C)c1[Si](C)(C)C.Cc1ccc2c(oc3c(-c4ccccc4)cc(C#N)cc32)c1-c1cc(-c2ccccc2)cc(C)[n+]1C.Cc1ccc2c(oc3c(-c4ccccc4)cc(C#N)cc32)c1-c1cc(C(C)C)c([Si](C)(C)C)c(C)[n+]1C.Cc1ccc2c(oc3c(-c4ccccc4)cc(C#N)cc32)c1-c1cc([Si](C)(C)C)c(C(C)C)c(C)[n+]1C.

What is the InChIKey of 6-(1,6-dimethyl-4-phenylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-4-propan-2-yl-5-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-5-propan-2-yl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;7-methyl-4-phenyl-6-(1,4,6-trimethyl-5-trimethylsilylpyridin-1-ium-2-yl)dibenzofuran-2-carbonitrile?

The InChIKey is JPYLTSPVUNTMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H35N2OSi.C33H25N2O.C31H31N2OSi/c1-20(2)26-18-29(35(5)22(4)33(26)37(6,7)8)30-21(3)14-15-25-28-17-23(19-34)16-27(31(28)36-32(25)30)24-12-10-9-11-13-24;1-20(2)30-22(4)35(5)28(18-29(30)37(6,7)8)31-21(3)14-15-25-27-17-23(19-34)16-26(32(27)36-33(25)31)24-12-10-9-11-13-24;1-21-14-15-27-29-18-23(20-34)17-28(25-12-8-5-9-13-25)32(29)36-33(27)31(21)30-19-26(16-22(2)35(30)3)24-10-6-4-7-11-24;1-19-13-14-24-26-17-22(18-32)16-25(23-11-9-8-10-12-23)29(26)34-30(24)28(19)27-15-20(2)31(35(5,6)7)21(3)33(27)4/h2*9-18,20H,1-8H3;4-19H,1-3H3;8-17H,1-7H3/q4*+1.

What are the key properties of 6-(1,6-dimethyl-4-phenylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-4-propan-2-yl-5-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-5-propan-2-yl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;7-methyl-4-phenyl-6-(1,4,6-trimethyl-5-trimethylsilylpyridin-1-ium-2-yl)dibenzofuran-2-carbonitrile?

6-(1,6-dimethyl-4-phenylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-4-propan-2-yl-5-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-5-propan-2-yl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;7-methyl-4-phenyl-6-(1,4,6-trimethyl-5-trimethylsilylpyridin-1-ium-2-yl)dibenzofuran-2-carbonitrile has a molecular weight of 1948.75 g/mol, XLogP of 30.79, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1,6-dimethyl-4-phenylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-4-propan-2-yl-5-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;6-(1,6-dimethyl-5-propan-2-yl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-4-phenyldibenzofuran-2-carbonitrile;7-methyl-4-phenyl-6-(1,4,6-trimethyl-5-trimethylsilylpyridin-1-ium-2-yl)dibenzofuran-2-carbonitrile is sourced from PubChem (CID 163961961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).