3-tert-butyl-1,5-dimethylindole;4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;4-tert-butyl-7-fluoro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-7-methyl-1H-indazole;3-tert-butyl-5-methyl-1H-indole;bis(3-tert-butyl-6-methyl-1H-indole);4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole

C176H223F5N16 — CID 167594987

IUPAC3-tert-butyl-1,5-dimethylindole;4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;4-tert-butyl-7-fluoro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-7-methyl-1H-indazole;3-tert-butyl-5-methyl-1H-indole;bis(3-tert-butyl-6-methyl-1H-indole);4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
SMILESCC(C)(C)c1c[nH]c2c(F)cccc12.CC(C)(C)c1c[nH]c2cccc(F)c12.CC(C)(C)c1cc2[nH]ccc2cc1F.CC(C)(C)c1ccc(F)c2[nH]ccc12.CC(C)(C)c1cccc2c1ccn2CCF.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2cn[nH]c12.Cc1cc(C(C)(C)C)cc2cn[nH]c12.Cc1ccc2[nH]cc(C(C)(C)C)c2c1.Cc1ccc2c(C(C)(C)C)c[nH]c2c1.Cc1ccc2c(C(C)(C)C)c[nH]c2c1.Cc1ccc2c(c1)c(C(C)(C)C)cn2C.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2cccc(C(C)(C)C)c21
InChIInChI=1S/C14H18FN.C14H19N.5C13H17N.4C12H14FN.C12H16N2.C12H15N.C11H14N2/c1-14(2,3)12-5-4-6-13-11(12)7-9-16(13)10-8-15;1-10-6-7-13-11(8-10)12(9-15(13)5)14(2,3)4;1-9-5-6-12-10(7-9)11(8-14-12)13(2,3)4;2*1-9-5-6-10-11(13(2,3)4)8-14-12(10)7-9;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-13(2,3)11-7-5-6-10-8-9-14(4)12(10)11;1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13;1-12(2,3)9-4-5-10(13)11-8(9)6-7-14-11;1-12(2,3)8-7-14-10-6-4-5-9(13)11(8)10;1-12(2,3)9-7-14-11-8(9)5-4-6-10(11)13;1-8-5-10(12(2,3)4)6-9-7-13-14-11(8)9;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h4-7,9H,8,10H2,1-3H3;6-9H,1-5H3;3*5-8,14H,1-4H3;2*5-9H,1-4H3;4*4-7,14H,1-3H3;5-7H,1-4H3,(H,13,14);4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13)
InChIKeyIYDKOPTXHVFDRY-UHFFFAOYSA-N
MW2657.82 g/mol
LogP49.88
Rot. Bonds2

About 3-tert-butyl-1,5-dimethylindole;4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;4-tert-butyl-7-fluoro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-7-methyl-1H-indazole;3-tert-butyl-5-methyl-1H-indole;bis(3-tert-butyl-6-methyl-1H-indole);4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole

3-tert-butyl-1,5-dimethylindole;4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;4-tert-butyl-7-fluoro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-7-methyl-1H-indazole;3-tert-butyl-5-methyl-1H-indole;bis(3-tert-butyl-6-methyl-1H-indole);4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole (PubChem CID 167594987) has the molecular formula C176H223F5N16 and a molecular weight of 2657.82 g/mol. Its IUPAC name is 3-tert-butyl-1,5-dimethylindole;4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;4-tert-butyl-7-fluoro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-7-methyl-1H-indazole;3-tert-butyl-5-methyl-1H-indole;bis(3-tert-butyl-6-methyl-1H-indole);4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole.

Molecular Properties

Compound Name3-tert-butyl-1,5-dimethylindole;4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;4-tert-butyl-7-fluoro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-7-methyl-1H-indazole;3-tert-butyl-5-methyl-1H-indole;bis(3-tert-butyl-6-methyl-1H-indole);4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
PubChem CID167594987
Molecular FormulaC176H223F5N16
Molecular Weight2657.82 g/mol
Exact Mass2655.79
IUPAC Name3-tert-butyl-1,5-dimethylindole;4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;4-tert-butyl-7-fluoro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-7-methyl-1H-indazole;3-tert-butyl-5-methyl-1H-indole;bis(3-tert-butyl-6-methyl-1H-indole);4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
SMILESCC(C)(C)c1c[nH]c2c(F)cccc12.CC(C)(C)c1c[nH]c2cccc(F)c12.CC(C)(C)c1cc2[nH]ccc2cc1F.CC(C)(C)c1ccc(F)c2[nH]ccc12.CC(C)(C)c1cccc2c1ccn2CCF.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2cn[nH]c12.Cc1cc(C(C)(C)C)cc2cn[nH]c12.Cc1ccc2[nH]cc(C(C)(C)C)c2c1.Cc1ccc2c(C(C)(C)C)c[nH]c2c1.Cc1ccc2c(C(C)(C)C)c[nH]c2c1.Cc1ccc2c(c1)c(C(C)(C)C)cn2C.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2cccc(C(C)(C)C)c21
InChIInChI=1S/C14H18FN.C14H19N.5C13H17N.4C12H14FN.C12H16N2.C12H15N.C11H14N2/c1-14(2,3)12-5-4-6-13-11(12)7-9-16(13)10-8-15;1-10-6-7-13-11(8-10)12(9-15(13)5)14(2,3)4;1-9-5-6-12-10(7-9)11(8-14-12)13(2,3)4;2*1-9-5-6-10-11(13(2,3)4)8-14-12(10)7-9;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-13(2,3)11-7-5-6-10-8-9-14(4)12(10)11;1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13;1-12(2,3)9-4-5-10(13)11-8(9)6-7-14-11;1-12(2,3)8-7-14-10-6-4-5-9(13)11(8)10;1-12(2,3)9-7-14-11-8(9)5-4-6-10(11)13;1-8-5-10(12(2,3)4)6-9-7-13-14-11(8)9;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h4-7,9H,8,10H2,1-3H3;6-9H,1-5H3;3*5-8,14H,1-4H3;2*5-9H,1-4H3;4*4-7,14H,1-3H3;5-7H,1-4H3,(H,13,14);4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13)
InChIKeyIYDKOPTXHVFDRY-UHFFFAOYSA-N
XLogP49.88
TPSA203.40 Ų
H-Bond Donors10
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002657.82
LogP ≤ 549.88
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 106

Analyze 3-tert-butyl-1,5-dimethylindole;4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;4-tert-butyl-7-fluoro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-7-methyl-1H-indazole;3-tert-butyl-5-methyl-1H-indole;bis(3-tert-butyl-6-methyl-1H-indole);4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-3-methyl-1H-indole
CID 137351735
4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-3-fluoro-1H-indole
CID 137352228
4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole
CID 137352697
4-[2-(2,6-diethylphenyl)-5-[(2-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole
CID 145744888
4-[2-(2,6-diethylphenyl)-5-[(3-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole
CID 145744898
4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-1H-indole
CID 145744923
4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole
CID 145744926
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-1H-indole
CID 145744928
4-[2-(2,6-diethylphenyl)-5-[(4-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole
CID 145744934
4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole
CID 147604989
4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole
CID 148987995
4-[5-[[2,5-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole
CID 149040707

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,5-dimethylindole;4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;4-tert-butyl-7-fluoro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-7-methyl-1H-indazole;3-tert-butyl-5-methyl-1H-indole;bis(3-tert-butyl-6-methyl-1H-indole);4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole?
The IUPAC name of 3-tert-butyl-1,5-dimethylindole;4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;4-tert-butyl-7-fluoro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-7-methyl-1H-indazole;3-tert-butyl-5-methyl-1H-indole;bis(3-tert-butyl-6-methyl-1H-indole);4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole (CID 167594987) is 3-tert-butyl-1,5-dimethylindole;4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;4-tert-butyl-7-fluoro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-7-methyl-1H-indazole;3-tert-butyl-5-methyl-1H-indole;bis(3-tert-butyl-6-methyl-1H-indole);4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole.
What is the SMILES notation for 3-tert-butyl-1,5-dimethylindole;4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;4-tert-butyl-7-fluoro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-7-methyl-1H-indazole;3-tert-butyl-5-methyl-1H-indole;bis(3-tert-butyl-6-methyl-1H-indole);4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole?
The canonical SMILES for 3-tert-butyl-1,5-dimethylindole;4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;4-tert-butyl-7-fluoro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-7-methyl-1H-indazole;3-tert-butyl-5-methyl-1H-indole;bis(3-tert-butyl-6-methyl-1H-indole);4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole is CC(C)(C)c1c[nH]c2c(F)cccc12.CC(C)(C)c1c[nH]c2cccc(F)c12.CC(C)(C)c1cc2[nH]ccc2cc1F.CC(C)(C)c1ccc(F)c2[nH]ccc12.CC(C)(C)c1cccc2c1ccn2CCF.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2cn[nH]c12.Cc1cc(C(C)(C)C)cc2cn[nH]c12.Cc1ccc2[nH]cc(C(C)(C)C)c2c1.Cc1ccc2c(C(C)(C)C)c[nH]c2c1.Cc1ccc2c(C(C)(C)C)c[nH]c2c1.Cc1ccc2c(c1)c(C(C)(C)C)cn2C.Cn1ccc2c(C(C)(C)C)cccc21.Cn1ccc2cccc(C(C)(C)C)c21.
What is the InChIKey of 3-tert-butyl-1,5-dimethylindole;4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;4-tert-butyl-7-fluoro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-7-methyl-1H-indazole;3-tert-butyl-5-methyl-1H-indole;bis(3-tert-butyl-6-methyl-1H-indole);4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole?
The InChIKey is IYDKOPTXHVFDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN.C14H19N.5C13H17N.4C12H14FN.C12H16N2.C12H15N.C11H14N2/c1-14(2,3)12-5-4-6-13-11(12)7-9-16(13)10-8-15;1-10-6-7-13-11(8-10)12(9-15(13)5)14(2,3)4;1-9-5-6-12-10(7-9)11(8-14-12)13(2,3)4;2*1-9-5-6-10-11(13(2,3)4)8-14-12(10)7-9;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-13(2,3)11-7-5-6-10-8-9-14(4)12(10)11;1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13;1-12(2,3)9-4-5-10(13)11-8(9)6-7-14-11;1-12(2,3)8-7-14-10-6-4-5-9(13)11(8)10;1-12(2,3)9-7-14-11-8(9)5-4-6-10(11)13;1-8-5-10(12(2,3)4)6-9-7-13-14-11(8)9;1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h4-7,9H,8,10H2,1-3H3;6-9H,1-5H3;3*5-8,14H,1-4H3;2*5-9H,1-4H3;4*4-7,14H,1-3H3;5-7H,1-4H3,(H,13,14);4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13).
What are the key properties of 3-tert-butyl-1,5-dimethylindole;4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;4-tert-butyl-7-fluoro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-7-methyl-1H-indazole;3-tert-butyl-5-methyl-1H-indole;bis(3-tert-butyl-6-methyl-1H-indole);4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole?
3-tert-butyl-1,5-dimethylindole;4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;4-tert-butyl-7-fluoro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-7-methyl-1H-indazole;3-tert-butyl-5-methyl-1H-indole;bis(3-tert-butyl-6-methyl-1H-indole);4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole has a molecular weight of 2657.82 g/mol, XLogP of 49.88, 2 rotatable bonds, 10 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,5-dimethylindole;4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;4-tert-butyl-7-fluoro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;5-tert-butyl-7-methyl-1H-indazole;3-tert-butyl-5-methyl-1H-indole;bis(3-tert-butyl-6-methyl-1H-indole);4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole is sourced from PubChem (CID 167594987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).