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;4-[3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;methane

C97H98N10O4 — CID 158443603

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;4-[3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;methane

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;4-[3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;methane (PubChem CID 158443603) has the molecular formula C97H98N10O4 and a molecular weight of 1467.92 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;4-[3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;methane.

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;4-[3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;methane
• PubChem CID: 158443603
• Molecular Formula: C97H98N10O4
• Molecular Weight: 1467.92 g/mol
• Exact Mass: 1466.78
• 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;4-[3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;methane
• SMILES: C.[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.[C-]#[N+]c1cc2c(-c3cncc(C)c3C)cn(C3CCC(O)CC3)c2cc1C
• InChI: InChI=1S/C25H22N2O.C24H21N3O.C24H26N2O.C23H25N3O.CH4/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;1-14-9-23-19(10-22(14)24-4)21(20-12-25-11-15(2)16(20)3)13-26(23)17-5-7-18(27)8-6-17;/h6-15H,1-3,5H3;6-14H,1-3,5H3;5-7,12-14,18-19,27H,8-11H2,1-3H3;9-13,17-18,27H,5-8H2,1-3H3;1H4
• InChIKey: HDCQKDQMUHRXOF-UHFFFAOYSA-N
• XLogP: 25.51
• TPSA: 121.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1467.92
LogP ≤ 5	25.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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;4-[3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;methane?

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;4-[3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;methane (CID 158443603) 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;4-[3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;methane.

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;4-[3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;methane?

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;4-[3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;methane is C.[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.[C-]#[N+]c1cc2c(-c3cncc(C)c3C)cn(C3CCC(O)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;4-[3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;methane?

The InChIKey is HDCQKDQMUHRXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O.C24H21N3O.C24H26N2O.C23H25N3O.CH4/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;1-14-9-23-19(10-22(14)24-4)21(20-12-25-11-15(2)16(20)3)13-26(23)17-5-7-18(27)8-6-17;/h6-15H,1-3,5H3;6-14H,1-3,5H3;5-7,12-14,18-19,27H,8-11H2,1-3H3;9-13,17-18,27H,5-8H2,1-3H3;1H4.

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;4-[3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;methane?

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;4-[3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;methane has a molecular weight of 1467.92 g/mol, XLogP of 25.51, 10 rotatable bonds, 2 hydrogen bond donors, and 10 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;4-[3-(4,5-dimethyl-3-pyridinyl)-5-isocyano-6-methylindol-1-yl]cyclohexan-1-ol;methane is sourced from PubChem (CID 158443603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).