4-chloro-1,3-dimethylindole;1,3-dimethyl-2-phenylindole;4-fluoro-1,3-dimethylindole;4-methoxy-1,3-dimethylindole;3-methyl-1,2-diphenylindole;1,2,3,5-tetramethylindole;1,3,4-trimethylindole;1,3,5-trimethylindole

C102H106ClFN8O — CID 159022675

About 4-chloro-1,3-dimethylindole;1,3-dimethyl-2-phenylindole;4-fluoro-1,3-dimethylindole;4-methoxy-1,3-dimethylindole;3-methyl-1,2-diphenylindole;1,2,3,5-tetramethylindole;1,3,4-trimethylindole;1,3,5-trimethylindole

4-chloro-1,3-dimethylindole;1,3-dimethyl-2-phenylindole;4-fluoro-1,3-dimethylindole;4-methoxy-1,3-dimethylindole;3-methyl-1,2-diphenylindole;1,2,3,5-tetramethylindole;1,3,4-trimethylindole;1,3,5-trimethylindole (PubChem CID 159022675) has the molecular formula C102H106ClFN8O and a molecular weight of 1514.48 g/mol. Its IUPAC name is 4-chloro-1,3-dimethylindole;1,3-dimethyl-2-phenylindole;4-fluoro-1,3-dimethylindole;4-methoxy-1,3-dimethylindole;3-methyl-1,2-diphenylindole;1,2,3,5-tetramethylindole;1,3,4-trimethylindole;1,3,5-trimethylindole.

Molecular Properties

• Compound Name: 4-chloro-1,3-dimethylindole;1,3-dimethyl-2-phenylindole;4-fluoro-1,3-dimethylindole;4-methoxy-1,3-dimethylindole;3-methyl-1,2-diphenylindole;1,2,3,5-tetramethylindole;1,3,4-trimethylindole;1,3,5-trimethylindole
• PubChem CID: 159022675
• Molecular Formula: C102H106ClFN8O
• Molecular Weight: 1514.48 g/mol
• Exact Mass: 1512.82
• IUPAC Name: 4-chloro-1,3-dimethylindole;1,3-dimethyl-2-phenylindole;4-fluoro-1,3-dimethylindole;4-methoxy-1,3-dimethylindole;3-methyl-1,2-diphenylindole;1,2,3,5-tetramethylindole;1,3,4-trimethylindole;1,3,5-trimethylindole
• SMILES: COc1cccc2c1c(C)cn2C.Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12.Cc1c(-c2ccccc2)n(C)c2ccccc12.Cc1ccc2c(c1)c(C)c(C)n2C.Cc1ccc2c(c1)c(C)cn2C.Cc1cccc2c1c(C)cn2C.Cc1cn(C)c2cccc(Cl)c12.Cc1cn(C)c2cccc(F)c12
• InChI: InChI=1S/C21H17N.C16H15N.C12H15N.C11H13NO.2C11H13N.C10H10ClN.C10H10FN/c1-16-19-14-8-9-15-20(19)22(18-12-6-3-7-13-18)21(16)17-10-4-2-5-11-17;1-12-14-10-6-7-11-15(14)17(2)16(12)13-8-4-3-5-9-13;1-8-5-6-12-11(7-8)9(2)10(3)13(12)4;1-8-7-12(2)9-5-4-6-10(13-3)11(8)9;1-8-4-5-11-10(6-8)9(2)7-12(11)3;1-8-5-4-6-10-11(8)9(2)7-12(10)3;2*1-7-6-12(2)9-5-3-4-8(11)10(7)9/h2-15H,1H3;3-11H,1-2H3;5-7H,1-4H3;4-7H,1-3H3;2*4-7H,1-3H3;2*3-6H,1-2H3
• InChIKey: JTWXJTFUWNRQIT-UHFFFAOYSA-N
• XLogP: 26.71
• TPSA: 48.67 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1514.48
LogP ≤ 5	26.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'indole_3yl_alk_B(1)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethylindole;1,3-dimethyl-2-phenylindole;4-fluoro-1,3-dimethylindole;4-methoxy-1,3-dimethylindole;3-methyl-1,2-diphenylindole;1,2,3,5-tetramethylindole;1,3,4-trimethylindole;1,3,5-trimethylindole?

The IUPAC name of 4-chloro-1,3-dimethylindole;1,3-dimethyl-2-phenylindole;4-fluoro-1,3-dimethylindole;4-methoxy-1,3-dimethylindole;3-methyl-1,2-diphenylindole;1,2,3,5-tetramethylindole;1,3,4-trimethylindole;1,3,5-trimethylindole (CID 159022675) is 4-chloro-1,3-dimethylindole;1,3-dimethyl-2-phenylindole;4-fluoro-1,3-dimethylindole;4-methoxy-1,3-dimethylindole;3-methyl-1,2-diphenylindole;1,2,3,5-tetramethylindole;1,3,4-trimethylindole;1,3,5-trimethylindole.

What is the SMILES notation for 4-chloro-1,3-dimethylindole;1,3-dimethyl-2-phenylindole;4-fluoro-1,3-dimethylindole;4-methoxy-1,3-dimethylindole;3-methyl-1,2-diphenylindole;1,2,3,5-tetramethylindole;1,3,4-trimethylindole;1,3,5-trimethylindole?

The canonical SMILES for 4-chloro-1,3-dimethylindole;1,3-dimethyl-2-phenylindole;4-fluoro-1,3-dimethylindole;4-methoxy-1,3-dimethylindole;3-methyl-1,2-diphenylindole;1,2,3,5-tetramethylindole;1,3,4-trimethylindole;1,3,5-trimethylindole is COc1cccc2c1c(C)cn2C.Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12.Cc1c(-c2ccccc2)n(C)c2ccccc12.Cc1ccc2c(c1)c(C)c(C)n2C.Cc1ccc2c(c1)c(C)cn2C.Cc1cccc2c1c(C)cn2C.Cc1cn(C)c2cccc(Cl)c12.Cc1cn(C)c2cccc(F)c12.

What is the InChIKey of 4-chloro-1,3-dimethylindole;1,3-dimethyl-2-phenylindole;4-fluoro-1,3-dimethylindole;4-methoxy-1,3-dimethylindole;3-methyl-1,2-diphenylindole;1,2,3,5-tetramethylindole;1,3,4-trimethylindole;1,3,5-trimethylindole?

The InChIKey is JTWXJTFUWNRQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N.C16H15N.C12H15N.C11H13NO.2C11H13N.C10H10ClN.C10H10FN/c1-16-19-14-8-9-15-20(19)22(18-12-6-3-7-13-18)21(16)17-10-4-2-5-11-17;1-12-14-10-6-7-11-15(14)17(2)16(12)13-8-4-3-5-9-13;1-8-5-6-12-11(7-8)9(2)10(3)13(12)4;1-8-7-12(2)9-5-4-6-10(13-3)11(8)9;1-8-4-5-11-10(6-8)9(2)7-12(11)3;1-8-5-4-6-10-11(8)9(2)7-12(10)3;2*1-7-6-12(2)9-5-3-4-8(11)10(7)9/h2-15H,1H3;3-11H,1-2H3;5-7H,1-4H3;4-7H,1-3H3;2*4-7H,1-3H3;2*3-6H,1-2H3.

What are the key properties of 4-chloro-1,3-dimethylindole;1,3-dimethyl-2-phenylindole;4-fluoro-1,3-dimethylindole;4-methoxy-1,3-dimethylindole;3-methyl-1,2-diphenylindole;1,2,3,5-tetramethylindole;1,3,4-trimethylindole;1,3,5-trimethylindole?

4-chloro-1,3-dimethylindole;1,3-dimethyl-2-phenylindole;4-fluoro-1,3-dimethylindole;4-methoxy-1,3-dimethylindole;3-methyl-1,2-diphenylindole;1,2,3,5-tetramethylindole;1,3,4-trimethylindole;1,3,5-trimethylindole has a molecular weight of 1514.48 g/mol, XLogP of 26.71, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-1,3-dimethylindole;1,3-dimethyl-2-phenylindole;4-fluoro-1,3-dimethylindole;4-methoxy-1,3-dimethylindole;3-methyl-1,2-diphenylindole;1,2,3,5-tetramethylindole;1,3,4-trimethylindole;1,3,5-trimethylindole is sourced from PubChem (CID 159022675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).