7-tert-butyl-3-chloro-1,6-dimethylindole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole

C68H88Cl2F2N6 — CID 158102668

IUPAC7-tert-butyl-3-chloro-1,6-dimethylindole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole
SMILESCc1[nH]nc2ccc(C(C)C)c(C(C)(C)C)c12.Cc1ccc2c(Cl)cn(C)c2c1C(C)(C)C.Cn1cc(F)c2cccc(C(C)(C)C)c21.Cn1ccc2ccc(Cl)c(C(C)(C)C)c21.Cn1ccc2ccc(F)c(C(C)(C)C)c21
InChIInChI=1S/C15H22N2.C14H18ClN.C13H16ClN.2C13H16FN/c1-9(2)11-7-8-12-13(10(3)16-17-12)14(11)15(4,5)6;1-9-6-7-10-11(15)8-16(5)13(10)12(9)14(2,3)4;2*1-13(2,3)11-10(14)6-5-9-7-8-15(4)12(9)11;1-13(2,3)10-7-5-6-9-11(14)8-15(4)12(9)10/h7-9H,1-6H3,(H,16,17);6-8H,1-5H3;3*5-8H,1-4H3
InChIKeyFPLLVWNCFVULLJ-UHFFFAOYSA-N
MW1098.40 g/mol
LogP20.09
Rot. Bonds1

About 7-tert-butyl-3-chloro-1,6-dimethylindole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole

7-tert-butyl-3-chloro-1,6-dimethylindole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole (PubChem CID 158102668) has the molecular formula C68H88Cl2F2N6 and a molecular weight of 1098.40 g/mol. Its IUPAC name is 7-tert-butyl-3-chloro-1,6-dimethylindole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole.

Molecular Properties

Compound Name7-tert-butyl-3-chloro-1,6-dimethylindole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole
PubChem CID158102668
Molecular FormulaC68H88Cl2F2N6
Molecular Weight1098.40 g/mol
Exact Mass1096.64
IUPAC Name7-tert-butyl-3-chloro-1,6-dimethylindole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole
SMILESCc1[nH]nc2ccc(C(C)C)c(C(C)(C)C)c12.Cc1ccc2c(Cl)cn(C)c2c1C(C)(C)C.Cn1cc(F)c2cccc(C(C)(C)C)c21.Cn1ccc2ccc(Cl)c(C(C)(C)C)c21.Cn1ccc2ccc(F)c(C(C)(C)C)c21
InChIInChI=1S/C15H22N2.C14H18ClN.C13H16ClN.2C13H16FN/c1-9(2)11-7-8-12-13(10(3)16-17-12)14(11)15(4,5)6;1-9-6-7-10-11(15)8-16(5)13(10)12(9)14(2,3)4;2*1-13(2,3)11-10(14)6-5-9-7-8-15(4)12(9)11;1-13(2,3)10-7-5-6-9-11(14)8-15(4)12(9)10/h7-9H,1-6H3,(H,16,17);6-8H,1-5H3;3*5-8H,1-4H3
InChIKeyFPLLVWNCFVULLJ-UHFFFAOYSA-N
XLogP20.09
TPSA48.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001098.40
LogP ≤ 520.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chloro-3-fluoro-6-methylphenyl)methyl]-6-(1H-indazol-5-yl)-N-methylindol-1-amine
CID 90797589
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
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
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
8,8-dimethyl-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene;3-phenylbenzo[e]indazole;2-[(E)-2-phenylethenyl]-1H-indazol-2-ium;1-phenylindazole;3-phenyl-1H-indazole;2-phenyl-1H-indazol-2-ium;4-(trifluoromethyl)-11H-indazolo[2,3-a]quinolin-12-ium;2-[3-(trifluoromethyl)phenyl]-1H-indazol-2-ium
CID 159838770
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
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
CID 167548451
3-chloro-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-[5-[(2-chloro-4-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-5-[(2,4-difluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(pyridin-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole
CID 167604722
N-[5-chloro-2-(1H-indazol-6-ylmethyl)-4-[1-(3-methylphenyl)pyrrol-2-yl]phenyl]methanimine
CID 146433353
6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole
CID 157068160
3-chloro-4-[5-[(4-chloro-2-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[5-[(2-chloro-4-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-5-[(2,4-difluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(pyridin-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole
CID 157112270

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3-chloro-1,6-dimethylindole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole?
The IUPAC name of 7-tert-butyl-3-chloro-1,6-dimethylindole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole (CID 158102668) is 7-tert-butyl-3-chloro-1,6-dimethylindole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole.
What is the SMILES notation for 7-tert-butyl-3-chloro-1,6-dimethylindole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole?
The canonical SMILES for 7-tert-butyl-3-chloro-1,6-dimethylindole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole is Cc1[nH]nc2ccc(C(C)C)c(C(C)(C)C)c12.Cc1ccc2c(Cl)cn(C)c2c1C(C)(C)C.Cn1cc(F)c2cccc(C(C)(C)C)c21.Cn1ccc2ccc(Cl)c(C(C)(C)C)c21.Cn1ccc2ccc(F)c(C(C)(C)C)c21.
What is the InChIKey of 7-tert-butyl-3-chloro-1,6-dimethylindole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole?
The InChIKey is FPLLVWNCFVULLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2.C14H18ClN.C13H16ClN.2C13H16FN/c1-9(2)11-7-8-12-13(10(3)16-17-12)14(11)15(4,5)6;1-9-6-7-10-11(15)8-16(5)13(10)12(9)14(2,3)4;2*1-13(2,3)11-10(14)6-5-9-7-8-15(4)12(9)11;1-13(2,3)10-7-5-6-9-11(14)8-15(4)12(9)10/h7-9H,1-6H3,(H,16,17);6-8H,1-5H3;3*5-8H,1-4H3.
What are the key properties of 7-tert-butyl-3-chloro-1,6-dimethylindole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole?
7-tert-butyl-3-chloro-1,6-dimethylindole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole has a molecular weight of 1098.40 g/mol, XLogP of 20.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3-chloro-1,6-dimethylindole;7-tert-butyl-6-chloro-1-methylindole;7-tert-butyl-3-fluoro-1-methylindole;7-tert-butyl-6-fluoro-1-methylindole;4-tert-butyl-3-methyl-5-propan-2-yl-2H-indazole is sourced from PubChem (CID 158102668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).