3-butyl-5-fluoro-1H-indole;3-butyl-1H-indole-5-carbonitrile;5-chloro-3-propyl-1H-indole;3-ethyl-5-fluoro-1H-indole;5-fluoro-1-methyl-3-propylindole;5-fluoro-3-propyl-1H-indole;methane;3-propyl-1H-indole-5-carbonitrile

C84H100ClF4N9 — CID 157110216

IUPAC3-butyl-5-fluoro-1H-indole;3-butyl-1H-indole-5-carbonitrile;5-chloro-3-propyl-1H-indole;3-ethyl-5-fluoro-1H-indole;5-fluoro-1-methyl-3-propylindole;5-fluoro-3-propyl-1H-indole;methane;3-propyl-1H-indole-5-carbonitrile
SMILESC.C.C.CCCCc1c[nH]c2ccc(C#N)cc12.CCCCc1c[nH]c2ccc(F)cc12.CCCc1c[nH]c2ccc(C#N)cc12.CCCc1c[nH]c2ccc(Cl)cc12.CCCc1c[nH]c2ccc(F)cc12.CCCc1cn(C)c2ccc(F)cc12.CCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H14N2.2C12H14FN.C12H12N2.C11H12ClN.C11H12FN.C10H10FN.3CH4/c1-2-3-4-11-9-15-13-6-5-10(8-14)7-12(11)13;1-3-4-9-8-14(2)12-6-5-10(13)7-11(9)12;1-2-3-4-9-8-14-12-6-5-10(13)7-11(9)12;1-2-3-10-8-14-12-5-4-9(7-13)6-11(10)12;2*1-2-3-8-7-13-11-5-4-9(12)6-10(8)11;1-2-7-6-12-10-4-3-8(11)5-9(7)10;;;/h5-7,9,15H,2-4H2,1H3;5-8H,3-4H2,1-2H3;5-8,14H,2-4H2,1H3;4-6,8,14H,2-3H2,1H3;2*4-7,13H,2-3H2,1H3;3-6,12H,2H2,1H3;3*1H4
InChIKeyFQIZEJXVGBZTDH-UHFFFAOYSA-N
MW1347.23 g/mol
LogP25.10
Rot. Bonds15

About 3-butyl-5-fluoro-1H-indole;3-butyl-1H-indole-5-carbonitrile;5-chloro-3-propyl-1H-indole;3-ethyl-5-fluoro-1H-indole;5-fluoro-1-methyl-3-propylindole;5-fluoro-3-propyl-1H-indole;methane;3-propyl-1H-indole-5-carbonitrile

3-butyl-5-fluoro-1H-indole;3-butyl-1H-indole-5-carbonitrile;5-chloro-3-propyl-1H-indole;3-ethyl-5-fluoro-1H-indole;5-fluoro-1-methyl-3-propylindole;5-fluoro-3-propyl-1H-indole;methane;3-propyl-1H-indole-5-carbonitrile (PubChem CID 157110216) has the molecular formula C84H100ClF4N9 and a molecular weight of 1347.23 g/mol. Its IUPAC name is 3-butyl-5-fluoro-1H-indole;3-butyl-1H-indole-5-carbonitrile;5-chloro-3-propyl-1H-indole;3-ethyl-5-fluoro-1H-indole;5-fluoro-1-methyl-3-propylindole;5-fluoro-3-propyl-1H-indole;methane;3-propyl-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-butyl-5-fluoro-1H-indole;3-butyl-1H-indole-5-carbonitrile;5-chloro-3-propyl-1H-indole;3-ethyl-5-fluoro-1H-indole;5-fluoro-1-methyl-3-propylindole;5-fluoro-3-propyl-1H-indole;methane;3-propyl-1H-indole-5-carbonitrile
PubChem CID157110216
Molecular FormulaC84H100ClF4N9
Molecular Weight1347.23 g/mol
Exact Mass1345.77
IUPAC Name3-butyl-5-fluoro-1H-indole;3-butyl-1H-indole-5-carbonitrile;5-chloro-3-propyl-1H-indole;3-ethyl-5-fluoro-1H-indole;5-fluoro-1-methyl-3-propylindole;5-fluoro-3-propyl-1H-indole;methane;3-propyl-1H-indole-5-carbonitrile
SMILESC.C.C.CCCCc1c[nH]c2ccc(C#N)cc12.CCCCc1c[nH]c2ccc(F)cc12.CCCc1c[nH]c2ccc(C#N)cc12.CCCc1c[nH]c2ccc(Cl)cc12.CCCc1c[nH]c2ccc(F)cc12.CCCc1cn(C)c2ccc(F)cc12.CCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H14N2.2C12H14FN.C12H12N2.C11H12ClN.C11H12FN.C10H10FN.3CH4/c1-2-3-4-11-9-15-13-6-5-10(8-14)7-12(11)13;1-3-4-9-8-14(2)12-6-5-10(13)7-11(9)12;1-2-3-4-9-8-14-12-6-5-10(13)7-11(9)12;1-2-3-10-8-14-12-5-4-9(7-13)6-11(10)12;2*1-2-3-8-7-13-11-5-4-9(12)6-10(8)11;1-2-7-6-12-10-4-3-8(11)5-9(7)10;;;/h5-7,9,15H,2-4H2,1H3;5-8H,3-4H2,1-2H3;5-8,14H,2-4H2,1H3;4-6,8,14H,2-3H2,1H3;2*4-7,13H,2-3H2,1H3;3-6,12H,2H2,1H3;3*1H4
InChIKeyFQIZEJXVGBZTDH-UHFFFAOYSA-N
XLogP25.10
TPSA147.25 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001347.23
LogP ≤ 525.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Analyze 3-butyl-5-fluoro-1H-indole;3-butyl-1H-indole-5-carbonitrile;5-chloro-3-propyl-1H-indole;3-ethyl-5-fluoro-1H-indole;5-fluoro-1-methyl-3-propylindole;5-fluoro-3-propyl-1H-indole;methane;3-propyl-1H-indole-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

3-[[4-[bis(5-cyano-1H-indol-3-yl)methyl]phenyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile
CID 57326787
3-[[6-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole
CID 127035942
3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-3-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile
CID 127034771
3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile
CID 127035944
3-[[5-[bis(5-chloro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-chloro-1H-indol-3-yl)methyl]-5-chloro-1H-indole
CID 127036137
(2Z,4Z)-2-(5-chloro-1H-indol-3-yl)-5-(5-fluoro-1H-indol-3-yl)-3,4-dipyridin-3-ylhexa-2,4-dienedinitrile
CID 87428589
3-(5-chloro-1H-indol-3-yl)-2-(5-fluoro-1H-indol-3-yl)-4-(1H-indol-4-yl)-1-methylindole
CID 141368888
6-fluoro-1,8-bis(1-phenylindol-5-yl)-9H-carbazole-3-carbonitrile
CID 145193461
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
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
1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;6-chloro-5-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 159879987
N-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-7-yl)methanimine;4,21-diazapentacyclo[11.8.0.02,10.03,7.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaene;N-(2,4-difluorophenyl)-1-(1H-indol-7-yl)methanimine;N-(2,5-difluorophenyl)-1-(1H-indol-7-yl)methanimine;N-(3,5-difluorophenyl)-1-(1H-indol-7-yl)methanimine;N-(2-fluorophenyl)-1-(1H-indol-7-yl)methanimine;N-(3-fluorophenyl)-1-(1H-indol-7-yl)methanimine;1-(1H-indol-7-yl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine;1-(1H-indol-7-yl)-N-(2,3,5,6-tetrafluorophenyl)methanimine;1-(1H-indol-7-yl)-N-[4-(trifluoromethyl)phenyl]methanimine;1-(1H-indol-7-yl)-N-(2,4,6-trifluorophenyl)methanimine;1-(3-methyl-1H-indol-7-yl)-N-phenylmethanimine;N-phenyl-1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-9-yl)methanimine
CID 160085590

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-fluoro-1H-indole;3-butyl-1H-indole-5-carbonitrile;5-chloro-3-propyl-1H-indole;3-ethyl-5-fluoro-1H-indole;5-fluoro-1-methyl-3-propylindole;5-fluoro-3-propyl-1H-indole;methane;3-propyl-1H-indole-5-carbonitrile?
The IUPAC name of 3-butyl-5-fluoro-1H-indole;3-butyl-1H-indole-5-carbonitrile;5-chloro-3-propyl-1H-indole;3-ethyl-5-fluoro-1H-indole;5-fluoro-1-methyl-3-propylindole;5-fluoro-3-propyl-1H-indole;methane;3-propyl-1H-indole-5-carbonitrile (CID 157110216) is 3-butyl-5-fluoro-1H-indole;3-butyl-1H-indole-5-carbonitrile;5-chloro-3-propyl-1H-indole;3-ethyl-5-fluoro-1H-indole;5-fluoro-1-methyl-3-propylindole;5-fluoro-3-propyl-1H-indole;methane;3-propyl-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-butyl-5-fluoro-1H-indole;3-butyl-1H-indole-5-carbonitrile;5-chloro-3-propyl-1H-indole;3-ethyl-5-fluoro-1H-indole;5-fluoro-1-methyl-3-propylindole;5-fluoro-3-propyl-1H-indole;methane;3-propyl-1H-indole-5-carbonitrile?
The canonical SMILES for 3-butyl-5-fluoro-1H-indole;3-butyl-1H-indole-5-carbonitrile;5-chloro-3-propyl-1H-indole;3-ethyl-5-fluoro-1H-indole;5-fluoro-1-methyl-3-propylindole;5-fluoro-3-propyl-1H-indole;methane;3-propyl-1H-indole-5-carbonitrile is C.C.C.CCCCc1c[nH]c2ccc(C#N)cc12.CCCCc1c[nH]c2ccc(F)cc12.CCCc1c[nH]c2ccc(C#N)cc12.CCCc1c[nH]c2ccc(Cl)cc12.CCCc1c[nH]c2ccc(F)cc12.CCCc1cn(C)c2ccc(F)cc12.CCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 3-butyl-5-fluoro-1H-indole;3-butyl-1H-indole-5-carbonitrile;5-chloro-3-propyl-1H-indole;3-ethyl-5-fluoro-1H-indole;5-fluoro-1-methyl-3-propylindole;5-fluoro-3-propyl-1H-indole;methane;3-propyl-1H-indole-5-carbonitrile?
The InChIKey is FQIZEJXVGBZTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.2C12H14FN.C12H12N2.C11H12ClN.C11H12FN.C10H10FN.3CH4/c1-2-3-4-11-9-15-13-6-5-10(8-14)7-12(11)13;1-3-4-9-8-14(2)12-6-5-10(13)7-11(9)12;1-2-3-4-9-8-14-12-6-5-10(13)7-11(9)12;1-2-3-10-8-14-12-5-4-9(7-13)6-11(10)12;2*1-2-3-8-7-13-11-5-4-9(12)6-10(8)11;1-2-7-6-12-10-4-3-8(11)5-9(7)10;;;/h5-7,9,15H,2-4H2,1H3;5-8H,3-4H2,1-2H3;5-8,14H,2-4H2,1H3;4-6,8,14H,2-3H2,1H3;2*4-7,13H,2-3H2,1H3;3-6,12H,2H2,1H3;3*1H4.
What are the key properties of 3-butyl-5-fluoro-1H-indole;3-butyl-1H-indole-5-carbonitrile;5-chloro-3-propyl-1H-indole;3-ethyl-5-fluoro-1H-indole;5-fluoro-1-methyl-3-propylindole;5-fluoro-3-propyl-1H-indole;methane;3-propyl-1H-indole-5-carbonitrile?
3-butyl-5-fluoro-1H-indole;3-butyl-1H-indole-5-carbonitrile;5-chloro-3-propyl-1H-indole;3-ethyl-5-fluoro-1H-indole;5-fluoro-1-methyl-3-propylindole;5-fluoro-3-propyl-1H-indole;methane;3-propyl-1H-indole-5-carbonitrile has a molecular weight of 1347.23 g/mol, XLogP of 25.10, 15 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-fluoro-1H-indole;3-butyl-1H-indole-5-carbonitrile;5-chloro-3-propyl-1H-indole;3-ethyl-5-fluoro-1H-indole;5-fluoro-1-methyl-3-propylindole;5-fluoro-3-propyl-1H-indole;methane;3-propyl-1H-indole-5-carbonitrile is sourced from PubChem (CID 157110216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).