4-[3-(2-chloro-4-fluoro-3-methylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(2,6-difluoro-3-methylphenyl)-1-(3-hydroxypropyl)-6-methylindole-5-carbonitrile;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propane-1,2-diol;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propan-1-ol;4-[5-isocyano-3-(3-isocyano-5-methylphenyl)-6-methylindol-1-yl]cyclohexan-1-ol

C117H119ClF3N11O6 — CID 159148327

About 4-[3-(2-chloro-4-fluoro-3-methylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(2,6-difluoro-3-methylphenyl)-1-(3-hydroxypropyl)-6-methylindole-5-carbonitrile;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propane-1,2-diol;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propan-1-ol;4-[5-isocyano-3-(3-isocyano-5-methylphenyl)-6-methylindol-1-yl]cyclohexan-1-ol

4-[3-(2-chloro-4-fluoro-3-methylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(2,6-difluoro-3-methylphenyl)-1-(3-hydroxypropyl)-6-methylindole-5-carbonitrile;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propane-1,2-diol;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propan-1-ol;4-[5-isocyano-3-(3-isocyano-5-methylphenyl)-6-methylindol-1-yl]cyclohexan-1-ol (PubChem CID 159148327) has the molecular formula C117H119ClF3N11O6 and a molecular weight of 1867.76 g/mol. Its IUPAC name is 4-[3-(2-chloro-4-fluoro-3-methylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(2,6-difluoro-3-methylphenyl)-1-(3-hydroxypropyl)-6-methylindole-5-carbonitrile;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propane-1,2-diol;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propan-1-ol;4-[5-isocyano-3-(3-isocyano-5-methylphenyl)-6-methylindol-1-yl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 4-[3-(2-chloro-4-fluoro-3-methylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(2,6-difluoro-3-methylphenyl)-1-(3-hydroxypropyl)-6-methylindole-5-carbonitrile;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propane-1,2-diol;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propan-1-ol;4-[5-isocyano-3-(3-isocyano-5-methylphenyl)-6-methylindol-1-yl]cyclohexan-1-ol
• PubChem CID: 159148327
• Molecular Formula: C117H119ClF3N11O6
• Molecular Weight: 1867.76 g/mol
• Exact Mass: 1865.90
• IUPAC Name: 4-[3-(2-chloro-4-fluoro-3-methylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(2,6-difluoro-3-methylphenyl)-1-(3-hydroxypropyl)-6-methylindole-5-carbonitrile;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propane-1,2-diol;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propan-1-ol;4-[5-isocyano-3-(3-isocyano-5-methylphenyl)-6-methylindol-1-yl]cyclohexan-1-ol
• SMILES: Cc1cc2c(cc1C#N)c(-c1c(F)ccc(C)c1F)cn2CCCO.[C-]#[N+]c1cc(C)cc(-c2cn(C3CCC(O)CC3)c3cc(C)c([N+]#[C-])cc23)c1.[C-]#[N+]c1cc2c(-c3ccc(F)c(C)c3Cl)cn(C3CCC(O)CC3)c2cc1C.[C-]#[N+]c1cc2c(-c3cccc4c3CCC(C)(C)C4)cn(CC(O)CO)c2cc1C.[C-]#[N+]c1cc2c(-c3cccc4c3CCC(C)(C)C4)cn(CCCO)c2cc1C
• InChI: InChI=1S/C25H28N2O2.C25H28N2O.C24H23N3O.C23H22ClFN2O.C20H18F2N2O/c1-16-10-24-21(11-23(16)26-4)22(14-27(24)13-18(29)15-28)20-7-5-6-17-12-25(2,3)9-8-19(17)20;1-17-13-24-21(14-23(17)26-4)22(16-27(24)11-6-12-28)20-8-5-7-18-15-25(2,3)10-9-19(18)20;1-15-9-17(12-18(10-15)25-3)22-14-27(19-5-7-20(28)8-6-19)24-11-16(2)23(26-4)13-21(22)24;1-13-10-22-18(11-21(13)26-3)19(17-8-9-20(25)14(2)23(17)24)12-27(22)15-4-6-16(28)7-5-15;1-12-4-5-17(21)19(20(12)22)16-11-24(6-3-7-25)18-8-13(2)14(10-23)9-15(16)18/h5-7,10-11,14,18,28-29H,8-9,12-13,15H2,1-3H3;5,7-8,13-14,16,28H,6,9-12,15H2,1-3H3;9-14,19-20,28H,5-8H2,1-2H3;8-12,15-16,28H,4-7H2,1-2H3;4-5,8-9,11,25H,3,6-7H2,1-2H3
• InChIKey: KIYPYYYUHKGRJG-UHFFFAOYSA-N
• XLogP: 28.80
• TPSA: 191.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1867.76
LogP ≤ 5	28.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chloro-4-fluoro-3-methylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(2,6-difluoro-3-methylphenyl)-1-(3-hydroxypropyl)-6-methylindole-5-carbonitrile;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propane-1,2-diol;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propan-1-ol;4-[5-isocyano-3-(3-isocyano-5-methylphenyl)-6-methylindol-1-yl]cyclohexan-1-ol?

The IUPAC name of 4-[3-(2-chloro-4-fluoro-3-methylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(2,6-difluoro-3-methylphenyl)-1-(3-hydroxypropyl)-6-methylindole-5-carbonitrile;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propane-1,2-diol;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propan-1-ol;4-[5-isocyano-3-(3-isocyano-5-methylphenyl)-6-methylindol-1-yl]cyclohexan-1-ol (CID 159148327) is 4-[3-(2-chloro-4-fluoro-3-methylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(2,6-difluoro-3-methylphenyl)-1-(3-hydroxypropyl)-6-methylindole-5-carbonitrile;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propane-1,2-diol;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propan-1-ol;4-[5-isocyano-3-(3-isocyano-5-methylphenyl)-6-methylindol-1-yl]cyclohexan-1-ol.

What is the SMILES notation for 4-[3-(2-chloro-4-fluoro-3-methylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(2,6-difluoro-3-methylphenyl)-1-(3-hydroxypropyl)-6-methylindole-5-carbonitrile;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propane-1,2-diol;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propan-1-ol;4-[5-isocyano-3-(3-isocyano-5-methylphenyl)-6-methylindol-1-yl]cyclohexan-1-ol?

The canonical SMILES for 4-[3-(2-chloro-4-fluoro-3-methylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(2,6-difluoro-3-methylphenyl)-1-(3-hydroxypropyl)-6-methylindole-5-carbonitrile;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propane-1,2-diol;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propan-1-ol;4-[5-isocyano-3-(3-isocyano-5-methylphenyl)-6-methylindol-1-yl]cyclohexan-1-ol is Cc1cc2c(cc1C#N)c(-c1c(F)ccc(C)c1F)cn2CCCO.[C-]#[N+]c1cc(C)cc(-c2cn(C3CCC(O)CC3)c3cc(C)c([N+]#[C-])cc23)c1.[C-]#[N+]c1cc2c(-c3ccc(F)c(C)c3Cl)cn(C3CCC(O)CC3)c2cc1C.[C-]#[N+]c1cc2c(-c3cccc4c3CCC(C)(C)C4)cn(CC(O)CO)c2cc1C.[C-]#[N+]c1cc2c(-c3cccc4c3CCC(C)(C)C4)cn(CCCO)c2cc1C.

What is the InChIKey of 4-[3-(2-chloro-4-fluoro-3-methylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(2,6-difluoro-3-methylphenyl)-1-(3-hydroxypropyl)-6-methylindole-5-carbonitrile;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propane-1,2-diol;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propan-1-ol;4-[5-isocyano-3-(3-isocyano-5-methylphenyl)-6-methylindol-1-yl]cyclohexan-1-ol?

The InChIKey is KIYPYYYUHKGRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2.C25H28N2O.C24H23N3O.C23H22ClFN2O.C20H18F2N2O/c1-16-10-24-21(11-23(16)26-4)22(14-27(24)13-18(29)15-28)20-7-5-6-17-12-25(2,3)9-8-19(17)20;1-17-13-24-21(14-23(17)26-4)22(16-27(24)11-6-12-28)20-8-5-7-18-15-25(2,3)10-9-19(18)20;1-15-9-17(12-18(10-15)25-3)22-14-27(19-5-7-20(28)8-6-19)24-11-16(2)23(26-4)13-21(22)24;1-13-10-22-18(11-21(13)26-3)19(17-8-9-20(25)14(2)23(17)24)12-27(22)15-4-6-16(28)7-5-15;1-12-4-5-17(21)19(20(12)22)16-11-24(6-3-7-25)18-8-13(2)14(10-23)9-15(16)18/h5-7,10-11,14,18,28-29H,8-9,12-13,15H2,1-3H3;5,7-8,13-14,16,28H,6,9-12,15H2,1-3H3;9-14,19-20,28H,5-8H2,1-2H3;8-12,15-16,28H,4-7H2,1-2H3;4-5,8-9,11,25H,3,6-7H2,1-2H3.

What are the key properties of 4-[3-(2-chloro-4-fluoro-3-methylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(2,6-difluoro-3-methylphenyl)-1-(3-hydroxypropyl)-6-methylindole-5-carbonitrile;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propane-1,2-diol;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propan-1-ol;4-[5-isocyano-3-(3-isocyano-5-methylphenyl)-6-methylindol-1-yl]cyclohexan-1-ol?

4-[3-(2-chloro-4-fluoro-3-methylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(2,6-difluoro-3-methylphenyl)-1-(3-hydroxypropyl)-6-methylindole-5-carbonitrile;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propane-1,2-diol;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propan-1-ol;4-[5-isocyano-3-(3-isocyano-5-methylphenyl)-6-methylindol-1-yl]cyclohexan-1-ol has a molecular weight of 1867.76 g/mol, XLogP of 28.80, 16 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(2-chloro-4-fluoro-3-methylphenyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;3-(2,6-difluoro-3-methylphenyl)-1-(3-hydroxypropyl)-6-methylindole-5-carbonitrile;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propane-1,2-diol;3-[3-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-5-isocyano-6-methylindol-1-yl]propan-1-ol;4-[5-isocyano-3-(3-isocyano-5-methylphenyl)-6-methylindol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 159148327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).