3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;4-[3-(2,3-dimethylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole

C73H69N7O3 — CID 158017396

About 3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;4-[3-(2,3-dimethylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole

3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;4-[3-(2,3-dimethylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole (PubChem CID 158017396) has the molecular formula C73H69N7O3 and a molecular weight of 1092.40 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;4-[3-(2,3-dimethylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole.

Molecular Properties

• Compound Name: 3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;4-[3-(2,3-dimethylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole
• PubChem CID: 158017396
• Molecular Formula: C73H69N7O3
• Molecular Weight: 1092.40 g/mol
• Exact Mass: 1091.55
• IUPAC Name: 3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;4-[3-(2,3-dimethylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole
• SMILES: [C-]#[N+]c1cc2c(-c3cccc(C)c3C)cn(-c3ccc(OC)cc3)c2cc1C.[C-]#[N+]c1cc2c(-c3cccc(C)c3C)cn(C3CCC(O)CC3)c2cc1C.[C-]#[N+]c1cc2c(-c3cncc(C)c3C)cn(-c3ccc(OC)cc3)c2cc1C
• InChI: InChI=1S/C25H22N2O.C24H21N3O.C24H26N2O/c1-16-7-6-8-21(18(16)3)23-15-27(19-9-11-20(28-5)12-10-19)25-13-17(2)24(26-4)14-22(23)25;1-15-10-24-20(11-23(15)25-4)22(21-13-26-12-16(2)17(21)3)14-27(24)18-6-8-19(28-5)9-7-18;1-15-6-5-7-20(17(15)3)22-14-26(18-8-10-19(27)11-9-18)24-12-16(2)23(25-4)13-21(22)24/h6-15H,1-3,5H3;6-14H,1-3,5H3;5-7,12-14,18-19,27H,8-11H2,1-3H3
• InChIKey: FFQGWSNPHQKZRF-UHFFFAOYSA-N
• XLogP: 19.22
• TPSA: 79.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1092.40
LogP ≤ 5	19.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;4-[3-(2,3-dimethylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole?

The IUPAC name of 3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;4-[3-(2,3-dimethylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole (CID 158017396) is 3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;4-[3-(2,3-dimethylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole.

What is the SMILES notation for 3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;4-[3-(2,3-dimethylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole?

The canonical SMILES for 3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;4-[3-(2,3-dimethylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole is [C-]#[N+]c1cc2c(-c3cccc(C)c3C)cn(-c3ccc(OC)cc3)c2cc1C.[C-]#[N+]c1cc2c(-c3cccc(C)c3C)cn(C3CCC(O)CC3)c2cc1C.[C-]#[N+]c1cc2c(-c3cncc(C)c3C)cn(-c3ccc(OC)cc3)c2cc1C.

What is the InChIKey of 3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;4-[3-(2,3-dimethylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole?

The InChIKey is FFQGWSNPHQKZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O.C24H21N3O.C24H26N2O/c1-16-7-6-8-21(18(16)3)23-15-27(19-9-11-20(28-5)12-10-19)25-13-17(2)24(26-4)14-22(23)25;1-15-10-24-20(11-23(15)25-4)22(21-13-26-12-16(2)17(21)3)14-27(24)18-6-8-19(28-5)9-7-18;1-15-6-5-7-20(17(15)3)22-14-26(18-8-10-19(27)11-9-18)24-12-16(2)23(25-4)13-21(22)24/h6-15H,1-3,5H3;6-14H,1-3,5H3;5-7,12-14,18-19,27H,8-11H2,1-3H3.

What are the key properties of 3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;4-[3-(2,3-dimethylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole?

3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;4-[3-(2,3-dimethylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole has a molecular weight of 1092.40 g/mol, XLogP of 19.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dimethylphenyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole;4-[3-(2,3-dimethylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-1-(4-methoxyphenyl)-6-methylindole is sourced from PubChem (CID 158017396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).