2-(4-chlorophenyl)-1,5-dimethylindole;2-(2-chlorophenyl)-1-ethyl-5-methylindole;2-(3-chlorophenyl)-1-ethyl-5-methylindole;2-(4-chlorophenyl)-5-methylindazole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-5-methyl-1H-indole

C96H83Cl4F4N7 — CID 158236932

IUPAC2-(4-chlorophenyl)-1,5-dimethylindole;2-(2-chlorophenyl)-1-ethyl-5-methylindole;2-(3-chlorophenyl)-1-ethyl-5-methylindole;2-(4-chlorophenyl)-5-methylindazole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-5-methyl-1H-indole
SMILESCCn1c(-c2cccc(Cl)c2)cc2cc(C)ccc21.CCn1c(-c2ccccc2Cl)cc2cc(C)ccc21.Cc1ccc2[nH]c(-c3ccc(F)cc3)cc2c1.Cc1ccc2c(c1)cc(-c1ccc(C(F)(F)F)cc1)n2C.Cc1ccc2c(c1)cc(-c1ccc(Cl)cc1)n2C.Cc1ccc2nn(-c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/2C17H16ClN.C17H14F3N.C16H14ClN.C15H12FN.C14H11ClN2/c1-3-19-16-8-7-12(2)9-14(16)11-17(19)13-5-4-6-15(18)10-13;1-3-19-16-9-8-12(2)10-13(16)11-17(19)14-6-4-5-7-15(14)18;1-11-3-8-15-13(9-11)10-16(21(15)2)12-4-6-14(7-5-12)17(18,19)20;1-11-3-8-15-13(9-11)10-16(18(15)2)12-4-6-14(17)7-5-12;1-10-2-7-14-12(8-10)9-15(17-14)11-3-5-13(16)6-4-11;1-10-2-7-14-11(8-10)9-17(16-14)13-5-3-12(15)4-6-13/h2*4-11H,3H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;2-9,17H,1H3;2-9H,1H3
InChIKeyGFBPLFOSPSVPDQ-UHFFFAOYSA-N
MW1552.57 g/mol
LogP28.83
Rot. Bonds8

About 2-(4-chlorophenyl)-1,5-dimethylindole;2-(2-chlorophenyl)-1-ethyl-5-methylindole;2-(3-chlorophenyl)-1-ethyl-5-methylindole;2-(4-chlorophenyl)-5-methylindazole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-5-methyl-1H-indole

2-(4-chlorophenyl)-1,5-dimethylindole;2-(2-chlorophenyl)-1-ethyl-5-methylindole;2-(3-chlorophenyl)-1-ethyl-5-methylindole;2-(4-chlorophenyl)-5-methylindazole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-5-methyl-1H-indole (PubChem CID 158236932) has the molecular formula C96H83Cl4F4N7 and a molecular weight of 1552.57 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,5-dimethylindole;2-(2-chlorophenyl)-1-ethyl-5-methylindole;2-(3-chlorophenyl)-1-ethyl-5-methylindole;2-(4-chlorophenyl)-5-methylindazole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-5-methyl-1H-indole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,5-dimethylindole;2-(2-chlorophenyl)-1-ethyl-5-methylindole;2-(3-chlorophenyl)-1-ethyl-5-methylindole;2-(4-chlorophenyl)-5-methylindazole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-5-methyl-1H-indole
PubChem CID158236932
Molecular FormulaC96H83Cl4F4N7
Molecular Weight1552.57 g/mol
Exact Mass1549.54
IUPAC Name2-(4-chlorophenyl)-1,5-dimethylindole;2-(2-chlorophenyl)-1-ethyl-5-methylindole;2-(3-chlorophenyl)-1-ethyl-5-methylindole;2-(4-chlorophenyl)-5-methylindazole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-5-methyl-1H-indole
SMILESCCn1c(-c2cccc(Cl)c2)cc2cc(C)ccc21.CCn1c(-c2ccccc2Cl)cc2cc(C)ccc21.Cc1ccc2[nH]c(-c3ccc(F)cc3)cc2c1.Cc1ccc2c(c1)cc(-c1ccc(C(F)(F)F)cc1)n2C.Cc1ccc2c(c1)cc(-c1ccc(Cl)cc1)n2C.Cc1ccc2nn(-c3ccc(Cl)cc3)cc2c1
InChIInChI=1S/2C17H16ClN.C17H14F3N.C16H14ClN.C15H12FN.C14H11ClN2/c1-3-19-16-8-7-12(2)9-14(16)11-17(19)13-5-4-6-15(18)10-13;1-3-19-16-9-8-12(2)10-13(16)11-17(19)14-6-4-5-7-15(14)18;1-11-3-8-15-13(9-11)10-16(21(15)2)12-4-6-14(7-5-12)17(18,19)20;1-11-3-8-15-13(9-11)10-16(18(15)2)12-4-6-14(17)7-5-12;1-10-2-7-14-12(8-10)9-15(17-14)11-3-5-13(16)6-4-11;1-10-2-7-14-11(8-10)9-17(16-14)13-5-3-12(15)4-6-13/h2*4-11H,3H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;2-9,17H,1H3;2-9H,1H3
InChIKeyGFBPLFOSPSVPDQ-UHFFFAOYSA-N
XLogP28.83
TPSA53.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001552.57
LogP ≤ 528.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenyl)-1,5-dimethylindole;2-(2-chlorophenyl)-1-ethyl-5-methylindole;2-(3-chlorophenyl)-1-ethyl-5-methylindole;2-(4-chlorophenyl)-5-methylindazole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-5-methyl-1H-indole with MolForge

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Related Compounds

7-[1-(5-chloro-3-propan-2-ylindol-1-yl)propan-2-yl]-6-fluoro-4-[2-(5-methyl-1H-indazol-4-yl)propyl]-1H-indazole
CID 135176108
5,10,15,20-Tetrakis[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-21,23-dihydroporphyrin
CID 142756943
5-[1-(5-chloro-1H-indol-3-yl)-2,2,2-trifluoroethyl]-1-(4-methylphenyl)indazole;ethane
CID 143372394
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene-2-carbonitrile;7-tert-butyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;4-tert-butyl-3-methyl-1H-indene;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene;6-tert-butyl-5-(trifluoromethyl)-1H-indole;3,6-ditert-butyl-1H-indole;5,6-ditert-butyl-1H-indole
CID 159501951
5-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-3H-indole;3-chloro-4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;bis(4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole);molecular hydrogen
CID 159739013
3-chloro-4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-ethyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-6-fluoro-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;methane
CID 160252301
N-(4-chlorophenyl)-1-(1H-indol-3-yl)methanimine;bis((2,4-dimethylphenyl)-(1H-indol-3-yl)diazene);(Z)-3-(4-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enenitrile;1H-indol-3-yl-(4-methylphenyl)diazene;1-(1H-indol-3-yl)-N-(4-methylphenyl)methanimine;1-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]methanimine;(Z)-2-(1H-indol-3-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile;(2-methyl-1H-indol-3-yl)-[2-(trifluoromethyl)phenyl]diazene;3-[(E)-2-phenylethenyl]-1H-indole
CID 160609026
1-Chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole
CID 161241234
2-(4-Chlorophenyl)-1-ethyl-5-methylindole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;1-ethyl-2-(4-fluorophenyl)-5-methylindole;1-ethyl-3-(4-fluorophenyl)-5-methylindole;1-ethyl-5-methyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-1,5-dimethylindole
CID 161507354
5-[5-[(2-chloro-5-methylphenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;2-(2,6-diethylphenyl)-5-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]-3-(1H-inden-4-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole;5-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole
CID 167542424
3-chloro-4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;bis(4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole);4-[2-(2,6-diethylphenyl)-5-[(4-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole
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9-Chloro-5-(2,6-difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2-chloro-6-fluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(2-fluoroethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-methyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;5-(2,6-difluorophenyl)-9-(trifluoromethyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine;8-(2,6-difluorophenyl)-13-(trifluoromethyl)-3,4,7,9,12-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,8,10,12-hexaene;9-(trifluoromethyl)-5-(2,4,6-trifluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
CID 167576679

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,5-dimethylindole;2-(2-chlorophenyl)-1-ethyl-5-methylindole;2-(3-chlorophenyl)-1-ethyl-5-methylindole;2-(4-chlorophenyl)-5-methylindazole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-5-methyl-1H-indole?
The IUPAC name of 2-(4-chlorophenyl)-1,5-dimethylindole;2-(2-chlorophenyl)-1-ethyl-5-methylindole;2-(3-chlorophenyl)-1-ethyl-5-methylindole;2-(4-chlorophenyl)-5-methylindazole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-5-methyl-1H-indole (CID 158236932) is 2-(4-chlorophenyl)-1,5-dimethylindole;2-(2-chlorophenyl)-1-ethyl-5-methylindole;2-(3-chlorophenyl)-1-ethyl-5-methylindole;2-(4-chlorophenyl)-5-methylindazole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-5-methyl-1H-indole.
What is the SMILES notation for 2-(4-chlorophenyl)-1,5-dimethylindole;2-(2-chlorophenyl)-1-ethyl-5-methylindole;2-(3-chlorophenyl)-1-ethyl-5-methylindole;2-(4-chlorophenyl)-5-methylindazole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-5-methyl-1H-indole?
The canonical SMILES for 2-(4-chlorophenyl)-1,5-dimethylindole;2-(2-chlorophenyl)-1-ethyl-5-methylindole;2-(3-chlorophenyl)-1-ethyl-5-methylindole;2-(4-chlorophenyl)-5-methylindazole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-5-methyl-1H-indole is CCn1c(-c2cccc(Cl)c2)cc2cc(C)ccc21.CCn1c(-c2ccccc2Cl)cc2cc(C)ccc21.Cc1ccc2[nH]c(-c3ccc(F)cc3)cc2c1.Cc1ccc2c(c1)cc(-c1ccc(C(F)(F)F)cc1)n2C.Cc1ccc2c(c1)cc(-c1ccc(Cl)cc1)n2C.Cc1ccc2nn(-c3ccc(Cl)cc3)cc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-1,5-dimethylindole;2-(2-chlorophenyl)-1-ethyl-5-methylindole;2-(3-chlorophenyl)-1-ethyl-5-methylindole;2-(4-chlorophenyl)-5-methylindazole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-5-methyl-1H-indole?
The InChIKey is GFBPLFOSPSVPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H16ClN.C17H14F3N.C16H14ClN.C15H12FN.C14H11ClN2/c1-3-19-16-8-7-12(2)9-14(16)11-17(19)13-5-4-6-15(18)10-13;1-3-19-16-9-8-12(2)10-13(16)11-17(19)14-6-4-5-7-15(14)18;1-11-3-8-15-13(9-11)10-16(21(15)2)12-4-6-14(7-5-12)17(18,19)20;1-11-3-8-15-13(9-11)10-16(18(15)2)12-4-6-14(17)7-5-12;1-10-2-7-14-12(8-10)9-15(17-14)11-3-5-13(16)6-4-11;1-10-2-7-14-11(8-10)9-17(16-14)13-5-3-12(15)4-6-13/h2*4-11H,3H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;2-9,17H,1H3;2-9H,1H3.
What are the key properties of 2-(4-chlorophenyl)-1,5-dimethylindole;2-(2-chlorophenyl)-1-ethyl-5-methylindole;2-(3-chlorophenyl)-1-ethyl-5-methylindole;2-(4-chlorophenyl)-5-methylindazole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-5-methyl-1H-indole?
2-(4-chlorophenyl)-1,5-dimethylindole;2-(2-chlorophenyl)-1-ethyl-5-methylindole;2-(3-chlorophenyl)-1-ethyl-5-methylindole;2-(4-chlorophenyl)-5-methylindazole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-5-methyl-1H-indole has a molecular weight of 1552.57 g/mol, XLogP of 28.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1,5-dimethylindole;2-(2-chlorophenyl)-1-ethyl-5-methylindole;2-(3-chlorophenyl)-1-ethyl-5-methylindole;2-(4-chlorophenyl)-5-methylindazole;1,5-dimethyl-2-[4-(trifluoromethyl)phenyl]indole;2-(4-fluorophenyl)-5-methyl-1H-indole is sourced from PubChem (CID 158236932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).