1,3-dimethylindole;3-ethenyl-1-methylindole;3-ethyl-1-methylindole;5-methoxy-1-methylindole;9-methylcarbazole;methyl 1-methylindole-3-carboxylate;3,6,9-trimethylcarbazole;1,2,3-trimethylindole;1,3,5-trimethylindole

C103H109N9O3 — CID 159471284

IUPAC1,3-dimethylindole;3-ethenyl-1-methylindole;3-ethyl-1-methylindole;5-methoxy-1-methylindole;9-methylcarbazole;methyl 1-methylindole-3-carboxylate;3,6,9-trimethylcarbazole;1,2,3-trimethylindole;1,3,5-trimethylindole
SMILESC=Cc1cn(C)c2ccccc12.CCc1cn(C)c2ccccc12.COC(=O)c1cn(C)c2ccccc12.COc1ccc2c(ccn2C)c1.Cc1c(C)n(C)c2ccccc12.Cc1ccc2c(c1)c(C)cn2C.Cc1ccc2c(c1)c1cc(C)ccc1n2C.Cc1cn(C)c2ccccc12.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C15H15N.C13H11N.C11H11NO2.3C11H13N.C11H11N.C10H11NO.C10H11N/c1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-12-7-9(11(13)14-2)8-5-3-4-6-10(8)12;1-8-4-5-11-10(6-8)9(2)7-12(11)3;1-8-9(2)12(3)11-7-5-4-6-10(8)11;2*1-3-9-8-12(2)11-7-5-4-6-10(9)11;1-11-6-5-8-7-9(12-2)3-4-10(8)11;1-8-7-11(2)10-6-4-3-5-9(8)10/h4-9H,1-3H3;2-9H,1H3;3-7H,1-2H3;2*4-7H,1-3H3;4-8H,3H2,1-2H3;3-8H,1H2,2H3;3-7H,1-2H3;3-7H,1-2H3
InChIKeyLVVMTRUJWMJPQJ-UHFFFAOYSA-N
MW1521.06 g/mol
LogP25.07
Rot. Bonds4

About 1,3-dimethylindole;3-ethenyl-1-methylindole;3-ethyl-1-methylindole;5-methoxy-1-methylindole;9-methylcarbazole;methyl 1-methylindole-3-carboxylate;3,6,9-trimethylcarbazole;1,2,3-trimethylindole;1,3,5-trimethylindole

1,3-dimethylindole;3-ethenyl-1-methylindole;3-ethyl-1-methylindole;5-methoxy-1-methylindole;9-methylcarbazole;methyl 1-methylindole-3-carboxylate;3,6,9-trimethylcarbazole;1,2,3-trimethylindole;1,3,5-trimethylindole (PubChem CID 159471284) has the molecular formula C103H109N9O3 and a molecular weight of 1521.06 g/mol. Its IUPAC name is 1,3-dimethylindole;3-ethenyl-1-methylindole;3-ethyl-1-methylindole;5-methoxy-1-methylindole;9-methylcarbazole;methyl 1-methylindole-3-carboxylate;3,6,9-trimethylcarbazole;1,2,3-trimethylindole;1,3,5-trimethylindole.

Molecular Properties

Compound Name1,3-dimethylindole;3-ethenyl-1-methylindole;3-ethyl-1-methylindole;5-methoxy-1-methylindole;9-methylcarbazole;methyl 1-methylindole-3-carboxylate;3,6,9-trimethylcarbazole;1,2,3-trimethylindole;1,3,5-trimethylindole
PubChem CID159471284
Molecular FormulaC103H109N9O3
Molecular Weight1521.06 g/mol
Exact Mass1519.87
IUPAC Name1,3-dimethylindole;3-ethenyl-1-methylindole;3-ethyl-1-methylindole;5-methoxy-1-methylindole;9-methylcarbazole;methyl 1-methylindole-3-carboxylate;3,6,9-trimethylcarbazole;1,2,3-trimethylindole;1,3,5-trimethylindole
SMILESC=Cc1cn(C)c2ccccc12.CCc1cn(C)c2ccccc12.COC(=O)c1cn(C)c2ccccc12.COc1ccc2c(ccn2C)c1.Cc1c(C)n(C)c2ccccc12.Cc1ccc2c(c1)c(C)cn2C.Cc1ccc2c(c1)c1cc(C)ccc1n2C.Cc1cn(C)c2ccccc12.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C15H15N.C13H11N.C11H11NO2.3C11H13N.C11H11N.C10H11NO.C10H11N/c1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-12-7-9(11(13)14-2)8-5-3-4-6-10(8)12;1-8-4-5-11-10(6-8)9(2)7-12(11)3;1-8-9(2)12(3)11-7-5-4-6-10(8)11;2*1-3-9-8-12(2)11-7-5-4-6-10(9)11;1-11-6-5-8-7-9(12-2)3-4-10(8)11;1-8-7-11(2)10-6-4-3-5-9(8)10/h4-9H,1-3H3;2-9H,1H3;3-7H,1-2H3;2*4-7H,1-3H3;4-8H,3H2,1-2H3;3-8H,1H2,2H3;3-7H,1-2H3;3-7H,1-2H3
InChIKeyLVVMTRUJWMJPQJ-UHFFFAOYSA-N
XLogP25.07
TPSA79.90 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001521.06
LogP ≤ 525.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 1,3-dimethylindole;3-ethenyl-1-methylindole;3-ethyl-1-methylindole;5-methoxy-1-methylindole;9-methylcarbazole;methyl 1-methylindole-3-carboxylate;3,6,9-trimethylcarbazole;1,2,3-trimethylindole;1,3,5-trimethylindole with MolForge

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Related Compounds

3-[[6-[1-[(3-Methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682147
3-[[6-[1-[(3-Methoxyphenyl)methyl]indolin-6-yl]indol-1-yl]methyl]benzoic acid
CID 145998988
5-Methoxy-3-[5-(5-methoxy-1-methylindol-3-yl)furan-2-yl]-1-methylindole
CID 45028187
3-[[5-[1-[(4-Methoxyphenyl)methyl]indol-5-yl]indol-1-yl]methyl]benzoic acid
CID 90682140
3-[[6-[1-[(3-Methoxyphenyl)methyl]indol-6-yl]-3-methylindol-1-yl]methyl]benzoic acid
CID 145998982
3-[[6-[1-(4-Methoxyphenyl)indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 71592577
2-[1-Butyl-5-(4-methoxyphenyl)indol-3-yl]-2-oxoacetic acid;2-[1-[(4-tert-butylphenyl)methyl]-5-(3-methylphenyl)indol-3-yl]-2-oxoacetic acid;2-[1-butyl-5-[4-(trifluoromethyl)phenyl]indol-3-yl]-2-oxoacetic acid
CID 87600334
1-(3,5-Dimethylphenyl)-3,3-difluoroindol-2-one;1-(3,5-dimethylphenyl)-2,3-dihydroindol-6-amine;1-(3,5-dimethylphenyl)indol-6-amine;1-(3,5-dimethylphenyl)indole-2,3-dione;1-(4-methoxyphenyl)indol-5-amine
CID 157480004
1-(2,5-Difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid
CID 157710840
3-amino-4-(5-methoxy-1H-indol-3-yl)butan-2-one;1-(1,2-dimethylindol-3-yl)ethanone;(3-methyl-1H-indol-5-yl)methanol;5-methyl-3-(1,1,1-trifluoropropan-2-yl)-1H-indole;4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-2-one
CID 158346067
1-(2,5-Difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid
CID 159228066
1-(2,5-Difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid
CID 160088405

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylindole;3-ethenyl-1-methylindole;3-ethyl-1-methylindole;5-methoxy-1-methylindole;9-methylcarbazole;methyl 1-methylindole-3-carboxylate;3,6,9-trimethylcarbazole;1,2,3-trimethylindole;1,3,5-trimethylindole?
The IUPAC name of 1,3-dimethylindole;3-ethenyl-1-methylindole;3-ethyl-1-methylindole;5-methoxy-1-methylindole;9-methylcarbazole;methyl 1-methylindole-3-carboxylate;3,6,9-trimethylcarbazole;1,2,3-trimethylindole;1,3,5-trimethylindole (CID 159471284) is 1,3-dimethylindole;3-ethenyl-1-methylindole;3-ethyl-1-methylindole;5-methoxy-1-methylindole;9-methylcarbazole;methyl 1-methylindole-3-carboxylate;3,6,9-trimethylcarbazole;1,2,3-trimethylindole;1,3,5-trimethylindole.
What is the SMILES notation for 1,3-dimethylindole;3-ethenyl-1-methylindole;3-ethyl-1-methylindole;5-methoxy-1-methylindole;9-methylcarbazole;methyl 1-methylindole-3-carboxylate;3,6,9-trimethylcarbazole;1,2,3-trimethylindole;1,3,5-trimethylindole?
The canonical SMILES for 1,3-dimethylindole;3-ethenyl-1-methylindole;3-ethyl-1-methylindole;5-methoxy-1-methylindole;9-methylcarbazole;methyl 1-methylindole-3-carboxylate;3,6,9-trimethylcarbazole;1,2,3-trimethylindole;1,3,5-trimethylindole is C=Cc1cn(C)c2ccccc12.CCc1cn(C)c2ccccc12.COC(=O)c1cn(C)c2ccccc12.COc1ccc2c(ccn2C)c1.Cc1c(C)n(C)c2ccccc12.Cc1ccc2c(c1)c(C)cn2C.Cc1ccc2c(c1)c1cc(C)ccc1n2C.Cc1cn(C)c2ccccc12.Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1,3-dimethylindole;3-ethenyl-1-methylindole;3-ethyl-1-methylindole;5-methoxy-1-methylindole;9-methylcarbazole;methyl 1-methylindole-3-carboxylate;3,6,9-trimethylcarbazole;1,2,3-trimethylindole;1,3,5-trimethylindole?
The InChIKey is LVVMTRUJWMJPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N.C13H11N.C11H11NO2.3C11H13N.C11H11N.C10H11NO.C10H11N/c1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-12-7-9(11(13)14-2)8-5-3-4-6-10(8)12;1-8-4-5-11-10(6-8)9(2)7-12(11)3;1-8-9(2)12(3)11-7-5-4-6-10(8)11;2*1-3-9-8-12(2)11-7-5-4-6-10(9)11;1-11-6-5-8-7-9(12-2)3-4-10(8)11;1-8-7-11(2)10-6-4-3-5-9(8)10/h4-9H,1-3H3;2-9H,1H3;3-7H,1-2H3;2*4-7H,1-3H3;4-8H,3H2,1-2H3;3-8H,1H2,2H3;3-7H,1-2H3;3-7H,1-2H3.
What are the key properties of 1,3-dimethylindole;3-ethenyl-1-methylindole;3-ethyl-1-methylindole;5-methoxy-1-methylindole;9-methylcarbazole;methyl 1-methylindole-3-carboxylate;3,6,9-trimethylcarbazole;1,2,3-trimethylindole;1,3,5-trimethylindole?
1,3-dimethylindole;3-ethenyl-1-methylindole;3-ethyl-1-methylindole;5-methoxy-1-methylindole;9-methylcarbazole;methyl 1-methylindole-3-carboxylate;3,6,9-trimethylcarbazole;1,2,3-trimethylindole;1,3,5-trimethylindole has a molecular weight of 1521.06 g/mol, XLogP of 25.07, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylindole;3-ethenyl-1-methylindole;3-ethyl-1-methylindole;5-methoxy-1-methylindole;9-methylcarbazole;methyl 1-methylindole-3-carboxylate;3,6,9-trimethylcarbazole;1,2,3-trimethylindole;1,3,5-trimethylindole is sourced from PubChem (CID 159471284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).