2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-(2-methylpropyl)pyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-propan-2-ylpyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-propan-2-ylpyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,4,6-trimethylpyridin-1-ium

C165H165N10O5+5 — CID 163928610

About 2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-(2-methylpropyl)pyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-propan-2-ylpyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-propan-2-ylpyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,4,6-trimethylpyridin-1-ium

2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-(2-methylpropyl)pyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-propan-2-ylpyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-propan-2-ylpyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,4,6-trimethylpyridin-1-ium (PubChem CID 163928610) has the molecular formula C165H165N10O5+5 and a molecular weight of 2368.20 g/mol. Its IUPAC name is 2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-(2-methylpropyl)pyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-propan-2-ylpyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-propan-2-ylpyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,4,6-trimethylpyridin-1-ium.

Molecular Properties

• Compound Name: 2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-(2-methylpropyl)pyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-propan-2-ylpyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-propan-2-ylpyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,4,6-trimethylpyridin-1-ium
• PubChem CID: 163928610
• Molecular Formula: C165H165N10O5+5
• Molecular Weight: 2368.20 g/mol
• Exact Mass: 2366.29
• IUPAC Name: 2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-(2-methylpropyl)pyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-propan-2-ylpyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-propan-2-ylpyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,4,6-trimethylpyridin-1-ium
• SMILES: [C-]#[N+]c1ccc2c(oc3c(-c4cc(C(C)C)cc(C)[n+]4C)c(C)ccc32)c1-c1ccc(C(C)C)cc1.[C-]#[N+]c1ccc2c(oc3c(-c4cc(C)cc(C)[n+]4C)c(C)ccc32)c1-c1ccc(C(C)C)cc1.[C-]#[N+]c1ccc2c(oc3c(-c4cc(CC(C)C)cc(C)[n+]4C)c(C)ccc32)c1-c1ccc(C(C)C)cc1.[C-]#[N+]c1ccc2c(oc3c(-c4ccc(C(C)C)c(C)[n+]4C)c(C)ccc32)c1-c1ccc(C(C)C)cc1.[C-]#[N+]c1ccc2c(oc3c(-c4ccc(CC(C)C)c(C)[n+]4C)c(C)ccc32)c1-c1ccc(C(C)C)cc1
• InChI: InChI=1S/2C34H35N2O.2C33H33N2O.C31H29N2O/c1-20(2)19-26-14-18-30(36(8)23(26)6)31-22(5)9-15-27-28-16-17-29(35-7)32(34(28)37-33(27)31)25-12-10-24(11-13-25)21(3)4;1-20(2)17-24-18-23(6)36(8)30(19-24)31-22(5)9-14-27-28-15-16-29(35-7)32(34(28)37-33(27)31)26-12-10-25(11-13-26)21(3)4;1-19(2)23-10-12-24(13-11-23)31-28(34-7)17-15-27-26-14-9-21(5)30(32(26)36-33(27)31)29-18-16-25(20(3)4)22(6)35(29)8;1-19(2)23-10-12-24(13-11-23)31-28(34-7)16-15-27-26-14-9-21(5)30(32(26)36-33(27)31)29-18-25(20(3)4)17-22(6)35(29)8;1-18(2)22-9-11-23(12-10-22)29-26(32-6)15-14-25-24-13-8-20(4)28(30(24)34-31(25)29)27-17-19(3)16-21(5)33(27)7/h9-18,20-21H,19H2,1-6,8H3;9-16,18-21H,17H2,1-6,8H3;2*9-20H,1-6,8H3;8-18H,1-5,7H3/q5*+1
• InChIKey: KDYNVXLUTYVVJG-UHFFFAOYSA-N
• XLogP: 45.13
• TPSA: 106.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 21
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2368.20
LogP ≤ 5	45.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-(2-methylpropyl)pyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-propan-2-ylpyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-propan-2-ylpyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,4,6-trimethylpyridin-1-ium?

The IUPAC name of 2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-(2-methylpropyl)pyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-propan-2-ylpyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-propan-2-ylpyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,4,6-trimethylpyridin-1-ium (CID 163928610) is 2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-(2-methylpropyl)pyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-propan-2-ylpyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-propan-2-ylpyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,4,6-trimethylpyridin-1-ium.

What is the SMILES notation for 2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-(2-methylpropyl)pyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-propan-2-ylpyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-propan-2-ylpyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,4,6-trimethylpyridin-1-ium?

The canonical SMILES for 2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-(2-methylpropyl)pyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-propan-2-ylpyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-propan-2-ylpyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,4,6-trimethylpyridin-1-ium is [C-]#[N+]c1ccc2c(oc3c(-c4cc(C(C)C)cc(C)[n+]4C)c(C)ccc32)c1-c1ccc(C(C)C)cc1.[C-]#[N+]c1ccc2c(oc3c(-c4cc(C)cc(C)[n+]4C)c(C)ccc32)c1-c1ccc(C(C)C)cc1.[C-]#[N+]c1ccc2c(oc3c(-c4cc(CC(C)C)cc(C)[n+]4C)c(C)ccc32)c1-c1ccc(C(C)C)cc1.[C-]#[N+]c1ccc2c(oc3c(-c4ccc(C(C)C)c(C)[n+]4C)c(C)ccc32)c1-c1ccc(C(C)C)cc1.[C-]#[N+]c1ccc2c(oc3c(-c4ccc(CC(C)C)c(C)[n+]4C)c(C)ccc32)c1-c1ccc(C(C)C)cc1.

What is the InChIKey of 2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-(2-methylpropyl)pyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-propan-2-ylpyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-propan-2-ylpyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,4,6-trimethylpyridin-1-ium?

The InChIKey is KDYNVXLUTYVVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H35N2O.2C33H33N2O.C31H29N2O/c1-20(2)19-26-14-18-30(36(8)23(26)6)31-22(5)9-15-27-28-16-17-29(35-7)32(34(28)37-33(27)31)25-12-10-24(11-13-25)21(3)4;1-20(2)17-24-18-23(6)36(8)30(19-24)31-22(5)9-14-27-28-15-16-29(35-7)32(34(28)37-33(27)31)26-12-10-25(11-13-26)21(3)4;1-19(2)23-10-12-24(13-11-23)31-28(34-7)17-15-27-26-14-9-21(5)30(32(26)36-33(27)31)29-18-16-25(20(3)4)22(6)35(29)8;1-19(2)23-10-12-24(13-11-23)31-28(34-7)16-15-27-26-14-9-21(5)30(32(26)36-33(27)31)29-18-25(20(3)4)17-22(6)35(29)8;1-18(2)22-9-11-23(12-10-22)29-26(32-6)15-14-25-24-13-8-20(4)28(30(24)34-31(25)29)27-17-19(3)16-21(5)33(27)7/h9-18,20-21H,19H2,1-6,8H3;9-16,18-21H,17H2,1-6,8H3;2*9-20H,1-6,8H3;8-18H,1-5,7H3/q5*+1.

What are the key properties of 2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-(2-methylpropyl)pyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-propan-2-ylpyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-propan-2-ylpyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,4,6-trimethylpyridin-1-ium?

2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-(2-methylpropyl)pyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-propan-2-ylpyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-propan-2-ylpyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,4,6-trimethylpyridin-1-ium has a molecular weight of 2368.20 g/mol, XLogP of 45.13, 21 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-(2-methylpropyl)pyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-(2-methylpropyl)pyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,6-dimethyl-4-propan-2-ylpyridin-1-ium;6-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,2-dimethyl-3-propan-2-ylpyridin-1-ium;2-[7-isocyano-3-methyl-6-(4-propan-2-ylphenyl)dibenzofuran-4-yl]-1,4,6-trimethylpyridin-1-ium is sourced from PubChem (CID 163928610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).