3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-chloro-4-propan-2-yl-1H-indene;3-chloro-4-propan-2-yl-1H-indole;5,7-difluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene;7-fluoro-5-propan-2-yl-1H-indene;3-fluoro-4-propan-2-yl-1H-indole;5-fluoro-4-propan-2-yl-1H-indole;6-fluoro-4-propan-2-yl-1H-indole;3-isocyano-4-propan-2-yl-1H-indene;3-methyl-4-propan-2-yl-1H-indene;7-methyl-4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;1-(4-propan-2-yl-1H-indol-7-yl)ethanone;5-propan-2-yl-1H-isoindole

C227H256Cl3F9N10O — CID 158196242

IUPAC3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-chloro-4-propan-2-yl-1H-indene;3-chloro-4-propan-2-yl-1H-indole;5,7-difluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene;7-fluoro-5-propan-2-yl-1H-indene;3-fluoro-4-propan-2-yl-1H-indole;5-fluoro-4-propan-2-yl-1H-indole;6-fluoro-4-propan-2-yl-1H-indole;3-isocyano-4-propan-2-yl-1H-indene;3-methyl-4-propan-2-yl-1H-indene;7-methyl-4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;1-(4-propan-2-yl-1H-indol-7-yl)ethanone;5-propan-2-yl-1H-isoindole
SMILESCC(=O)c1ccc(C(C)C)c2cc[nH]c12.CC(C)c1c(F)cc(F)c2c1C=CC2.CC(C)c1c(F)ccc2[nH]ccc12.CC(C)c1cc(F)c2c(c1)C=CC2.CC(C)c1cc(F)cc2[nH]ccc12.CC(C)c1ccc(Cl)c2c1C=CC2.CC(C)c1ccc(F)c2c1C(Cl)=CC2.CC(C)c1ccc(F)c2c1C=CC2.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2c(c1)C=NC2.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1cccc2[nH]cc(Cl)c12.CC(C)c1cccc2[nH]cc(F)c12.CC(C)c1cccc2c1C=CC2.CC1=CCc2cccc(C(C)C)c21.CCc1ccc(C(C)C)c2cc[nH]c12.Cc1c(F)cc(C(C)C)c2cc[nH]c12.Cc1ccc(C(C)C)c2c1CC=C2.[C-]#[N+]C1=CCc2cccc(C(C)C)c21
InChIInChI=1S/C13H15NO.C13H13N.C13H17N.2C13H16.C12H12ClF.C12H13Cl.C12H12F2.C12H14FN.2C12H13F.2C12H14.C11H12ClN.3C11H12FN.2C11H13N/c1-8(2)10-4-5-11(9(3)15)13-12(10)6-7-14-13;1-9(2)11-6-4-5-10-7-8-12(14-3)13(10)11;1-4-10-5-6-11(9(2)3)12-7-8-14-13(10)12;1-9(2)11-8-7-10(3)12-5-4-6-13(11)12;1-9(2)12-6-4-5-11-8-7-10(3)13(11)12;1-7(2)8-4-6-11(14)9-3-5-10(13)12(8)9;1-8(2)9-6-7-12(13)11-5-3-4-10(9)11;1-7(2)12-9-5-3-4-8(9)10(13)6-11(12)14;1-7(2)10-6-11(13)8(3)12-9(10)4-5-14-12;1-8(2)10-6-9-4-3-5-11(9)12(13)7-10;1-8(2)9-6-7-12(13)11-5-3-4-10(9)11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-4-3-5-10-11(8)9(12)6-13-10;1-7(2)10-5-8(12)6-11-9(10)3-4-13-11;1-7(2)11-8-5-6-13-10(8)4-3-9(11)12;1-7(2)8-4-3-5-10-11(8)9(12)6-13-10;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)10-4-3-9-5-6-12-11(9)7-10/h4-8,14H,1-3H3;4-6,8-9H,7H2,1-2H3;5-9,14H,4H2,1-3H3;4,6-9H,5H2,1-3H3;4-7,9H,8H2,1-3H3;4-7H,3H2,1-2H3;3-4,6-8H,5H2,1-2H3;3,5-7H,4H2,1-2H3;4-7,14H,1-3H3;2*3-4,6-8H,5H2,1-2H3;3-5,7-9H,6H2,1-2H3;3,5-9H,4H2,1-2H3;4*3-7,13H,1-2H3;3-5,7-8H,6H2,1-2H3;3-4,6-8H,5H2,1-2H3
InChIKeyGAJHYQHJMLSUCW-UHFFFAOYSA-N
MW3417.95 g/mol
LogP67.79
Rot. Bonds21

About 3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-chloro-4-propan-2-yl-1H-indene;3-chloro-4-propan-2-yl-1H-indole;5,7-difluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene;7-fluoro-5-propan-2-yl-1H-indene;3-fluoro-4-propan-2-yl-1H-indole;5-fluoro-4-propan-2-yl-1H-indole;6-fluoro-4-propan-2-yl-1H-indole;3-isocyano-4-propan-2-yl-1H-indene;3-methyl-4-propan-2-yl-1H-indene;7-methyl-4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;1-(4-propan-2-yl-1H-indol-7-yl)ethanone;5-propan-2-yl-1H-isoindole

3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-chloro-4-propan-2-yl-1H-indene;3-chloro-4-propan-2-yl-1H-indole;5,7-difluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene;7-fluoro-5-propan-2-yl-1H-indene;3-fluoro-4-propan-2-yl-1H-indole;5-fluoro-4-propan-2-yl-1H-indole;6-fluoro-4-propan-2-yl-1H-indole;3-isocyano-4-propan-2-yl-1H-indene;3-methyl-4-propan-2-yl-1H-indene;7-methyl-4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;1-(4-propan-2-yl-1H-indol-7-yl)ethanone;5-propan-2-yl-1H-isoindole (PubChem CID 158196242) has the molecular formula C227H256Cl3F9N10O and a molecular weight of 3417.95 g/mol. Its IUPAC name is 3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-chloro-4-propan-2-yl-1H-indene;3-chloro-4-propan-2-yl-1H-indole;5,7-difluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene;7-fluoro-5-propan-2-yl-1H-indene;3-fluoro-4-propan-2-yl-1H-indole;5-fluoro-4-propan-2-yl-1H-indole;6-fluoro-4-propan-2-yl-1H-indole;3-isocyano-4-propan-2-yl-1H-indene;3-methyl-4-propan-2-yl-1H-indene;7-methyl-4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;1-(4-propan-2-yl-1H-indol-7-yl)ethanone;5-propan-2-yl-1H-isoindole.

Molecular Properties

Compound Name3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-chloro-4-propan-2-yl-1H-indene;3-chloro-4-propan-2-yl-1H-indole;5,7-difluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene;7-fluoro-5-propan-2-yl-1H-indene;3-fluoro-4-propan-2-yl-1H-indole;5-fluoro-4-propan-2-yl-1H-indole;6-fluoro-4-propan-2-yl-1H-indole;3-isocyano-4-propan-2-yl-1H-indene;3-methyl-4-propan-2-yl-1H-indene;7-methyl-4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;1-(4-propan-2-yl-1H-indol-7-yl)ethanone;5-propan-2-yl-1H-isoindole
PubChem CID158196242
Molecular FormulaC227H256Cl3F9N10O
Molecular Weight3417.95 g/mol
Exact Mass3413.92
IUPAC Name3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-chloro-4-propan-2-yl-1H-indene;3-chloro-4-propan-2-yl-1H-indole;5,7-difluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene;7-fluoro-5-propan-2-yl-1H-indene;3-fluoro-4-propan-2-yl-1H-indole;5-fluoro-4-propan-2-yl-1H-indole;6-fluoro-4-propan-2-yl-1H-indole;3-isocyano-4-propan-2-yl-1H-indene;3-methyl-4-propan-2-yl-1H-indene;7-methyl-4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;1-(4-propan-2-yl-1H-indol-7-yl)ethanone;5-propan-2-yl-1H-isoindole
SMILESCC(=O)c1ccc(C(C)C)c2cc[nH]c12.CC(C)c1c(F)cc(F)c2c1C=CC2.CC(C)c1c(F)ccc2[nH]ccc12.CC(C)c1cc(F)c2c(c1)C=CC2.CC(C)c1cc(F)cc2[nH]ccc12.CC(C)c1ccc(Cl)c2c1C=CC2.CC(C)c1ccc(F)c2c1C(Cl)=CC2.CC(C)c1ccc(F)c2c1C=CC2.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2c(c1)C=NC2.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1cccc2[nH]cc(Cl)c12.CC(C)c1cccc2[nH]cc(F)c12.CC(C)c1cccc2c1C=CC2.CC1=CCc2cccc(C(C)C)c21.CCc1ccc(C(C)C)c2cc[nH]c12.Cc1c(F)cc(C(C)C)c2cc[nH]c12.Cc1ccc(C(C)C)c2c1CC=C2.[C-]#[N+]C1=CCc2cccc(C(C)C)c21
InChIInChI=1S/C13H15NO.C13H13N.C13H17N.2C13H16.C12H12ClF.C12H13Cl.C12H12F2.C12H14FN.2C12H13F.2C12H14.C11H12ClN.3C11H12FN.2C11H13N/c1-8(2)10-4-5-11(9(3)15)13-12(10)6-7-14-13;1-9(2)11-6-4-5-10-7-8-12(14-3)13(10)11;1-4-10-5-6-11(9(2)3)12-7-8-14-13(10)12;1-9(2)11-8-7-10(3)12-5-4-6-13(11)12;1-9(2)12-6-4-5-11-8-7-10(3)13(11)12;1-7(2)8-4-6-11(14)9-3-5-10(13)12(8)9;1-8(2)9-6-7-12(13)11-5-3-4-10(9)11;1-7(2)12-9-5-3-4-8(9)10(13)6-11(12)14;1-7(2)10-6-11(13)8(3)12-9(10)4-5-14-12;1-8(2)10-6-9-4-3-5-11(9)12(13)7-10;1-8(2)9-6-7-12(13)11-5-3-4-10(9)11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-4-3-5-10-11(8)9(12)6-13-10;1-7(2)10-5-8(12)6-11-9(10)3-4-13-11;1-7(2)11-8-5-6-13-10(8)4-3-9(11)12;1-7(2)8-4-3-5-10-11(8)9(12)6-13-10;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)10-4-3-9-5-6-12-11(9)7-10/h4-8,14H,1-3H3;4-6,8-9H,7H2,1-2H3;5-9,14H,4H2,1-3H3;4,6-9H,5H2,1-3H3;4-7,9H,8H2,1-3H3;4-7H,3H2,1-2H3;3-4,6-8H,5H2,1-2H3;3,5-7H,4H2,1-2H3;4-7,14H,1-3H3;2*3-4,6-8H,5H2,1-2H3;3-5,7-9H,6H2,1-2H3;3,5-9H,4H2,1-2H3;4*3-7,13H,1-2H3;3-5,7-8H,6H2,1-2H3;3-4,6-8H,5H2,1-2H3
InChIKeyGAJHYQHJMLSUCW-UHFFFAOYSA-N
XLogP67.79
TPSA156.68 Ų
H-Bond Donors7
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003417.95
LogP ≤ 567.79
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-chloro-4-propan-2-yl-1H-indene;3-chloro-4-propan-2-yl-1H-indole;5,7-difluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene;7-fluoro-5-propan-2-yl-1H-indene;3-fluoro-4-propan-2-yl-1H-indole;5-fluoro-4-propan-2-yl-1H-indole;6-fluoro-4-propan-2-yl-1H-indole;3-isocyano-4-propan-2-yl-1H-indene;3-methyl-4-propan-2-yl-1H-indene;7-methyl-4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;1-(4-propan-2-yl-1H-indol-7-yl)ethanone;5-propan-2-yl-1H-isoindole with MolForge

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Related Compounds

1-chloro-4-methyl-2-(trifluoromethyl)benzene;4-chloro-3-(trifluoromethyl)aniline;N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(1H-indol-3-yl)-2-oxoethanimidoyl cyanide;1H-indole;3-(1H-indol-3-yl)-3-oxopropanenitrile;hydrochloride
CID 157193151
hexakis(carbon dioxide);N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-chloro-3-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-pyridin-3-ylethyl]indole-5-carboxamide;N-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 157943756
hexakis(carbon dioxide);N-[(1S)-1-(2-chloro-3-fluorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-dichlorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-pyridin-4-ylethyl]indole-5-carboxamide;N-[(2-fluoro-4-methylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
CID 158727432
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole
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1-benzylindole;2-(1-benzylindol-3-yl)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-oxoethanimidoyl cyanide;3-(1-benzylindol-3-yl)-3-oxopropanenitrile;1-chloro-4-methyl-2-(trifluoromethyl)benzene;4-chloro-3-(trifluoromethyl)aniline;1H-indole;hydrochloride
CID 160167174
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline
CID 160186858
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-3H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline
CID 160212733
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;3-propan-2-ylisoquinoline
CID 160623767
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole
CID 160947971
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole
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tris(5-chloro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(6-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide)
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2-(1-benzoylindol-3-yl)-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-oxoethanimidoyl cyanide;3-(1-benzoylindol-3-yl)-3-oxopropanenitrile;1-chloro-4-methyl-2-(trifluoromethyl)benzene;4-chloro-3-(trifluoromethyl)aniline;3-(1H-indol-3-yl)-3-oxopropanenitrile;phosphane;tungsten;hydrochloride
CID 162161294

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What is the IUPAC name of 3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-chloro-4-propan-2-yl-1H-indene;3-chloro-4-propan-2-yl-1H-indole;5,7-difluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene;7-fluoro-5-propan-2-yl-1H-indene;3-fluoro-4-propan-2-yl-1H-indole;5-fluoro-4-propan-2-yl-1H-indole;6-fluoro-4-propan-2-yl-1H-indole;3-isocyano-4-propan-2-yl-1H-indene;3-methyl-4-propan-2-yl-1H-indene;7-methyl-4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;1-(4-propan-2-yl-1H-indol-7-yl)ethanone;5-propan-2-yl-1H-isoindole?
The IUPAC name of 3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-chloro-4-propan-2-yl-1H-indene;3-chloro-4-propan-2-yl-1H-indole;5,7-difluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene;7-fluoro-5-propan-2-yl-1H-indene;3-fluoro-4-propan-2-yl-1H-indole;5-fluoro-4-propan-2-yl-1H-indole;6-fluoro-4-propan-2-yl-1H-indole;3-isocyano-4-propan-2-yl-1H-indene;3-methyl-4-propan-2-yl-1H-indene;7-methyl-4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;1-(4-propan-2-yl-1H-indol-7-yl)ethanone;5-propan-2-yl-1H-isoindole (CID 158196242) is 3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-chloro-4-propan-2-yl-1H-indene;3-chloro-4-propan-2-yl-1H-indole;5,7-difluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene;7-fluoro-5-propan-2-yl-1H-indene;3-fluoro-4-propan-2-yl-1H-indole;5-fluoro-4-propan-2-yl-1H-indole;6-fluoro-4-propan-2-yl-1H-indole;3-isocyano-4-propan-2-yl-1H-indene;3-methyl-4-propan-2-yl-1H-indene;7-methyl-4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;1-(4-propan-2-yl-1H-indol-7-yl)ethanone;5-propan-2-yl-1H-isoindole.
What is the SMILES notation for 3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-chloro-4-propan-2-yl-1H-indene;3-chloro-4-propan-2-yl-1H-indole;5,7-difluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene;7-fluoro-5-propan-2-yl-1H-indene;3-fluoro-4-propan-2-yl-1H-indole;5-fluoro-4-propan-2-yl-1H-indole;6-fluoro-4-propan-2-yl-1H-indole;3-isocyano-4-propan-2-yl-1H-indene;3-methyl-4-propan-2-yl-1H-indene;7-methyl-4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;1-(4-propan-2-yl-1H-indol-7-yl)ethanone;5-propan-2-yl-1H-isoindole?
The canonical SMILES for 3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-chloro-4-propan-2-yl-1H-indene;3-chloro-4-propan-2-yl-1H-indole;5,7-difluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene;7-fluoro-5-propan-2-yl-1H-indene;3-fluoro-4-propan-2-yl-1H-indole;5-fluoro-4-propan-2-yl-1H-indole;6-fluoro-4-propan-2-yl-1H-indole;3-isocyano-4-propan-2-yl-1H-indene;3-methyl-4-propan-2-yl-1H-indene;7-methyl-4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;1-(4-propan-2-yl-1H-indol-7-yl)ethanone;5-propan-2-yl-1H-isoindole is CC(=O)c1ccc(C(C)C)c2cc[nH]c12.CC(C)c1c(F)cc(F)c2c1C=CC2.CC(C)c1c(F)ccc2[nH]ccc12.CC(C)c1cc(F)c2c(c1)C=CC2.CC(C)c1cc(F)cc2[nH]ccc12.CC(C)c1ccc(Cl)c2c1C=CC2.CC(C)c1ccc(F)c2c1C(Cl)=CC2.CC(C)c1ccc(F)c2c1C=CC2.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1ccc2c(c1)C=NC2.CC(C)c1ccc2c(c1)N=CC2.CC(C)c1cccc2[nH]cc(Cl)c12.CC(C)c1cccc2[nH]cc(F)c12.CC(C)c1cccc2c1C=CC2.CC1=CCc2cccc(C(C)C)c21.CCc1ccc(C(C)C)c2cc[nH]c12.Cc1c(F)cc(C(C)C)c2cc[nH]c12.Cc1ccc(C(C)C)c2c1CC=C2.[C-]#[N+]C1=CCc2cccc(C(C)C)c21.
What is the InChIKey of 3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-chloro-4-propan-2-yl-1H-indene;3-chloro-4-propan-2-yl-1H-indole;5,7-difluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene;7-fluoro-5-propan-2-yl-1H-indene;3-fluoro-4-propan-2-yl-1H-indole;5-fluoro-4-propan-2-yl-1H-indole;6-fluoro-4-propan-2-yl-1H-indole;3-isocyano-4-propan-2-yl-1H-indene;3-methyl-4-propan-2-yl-1H-indene;7-methyl-4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;1-(4-propan-2-yl-1H-indol-7-yl)ethanone;5-propan-2-yl-1H-isoindole?
The InChIKey is GAJHYQHJMLSUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.C13H13N.C13H17N.2C13H16.C12H12ClF.C12H13Cl.C12H12F2.C12H14FN.2C12H13F.2C12H14.C11H12ClN.3C11H12FN.2C11H13N/c1-8(2)10-4-5-11(9(3)15)13-12(10)6-7-14-13;1-9(2)11-6-4-5-10-7-8-12(14-3)13(10)11;1-4-10-5-6-11(9(2)3)12-7-8-14-13(10)12;1-9(2)11-8-7-10(3)12-5-4-6-13(11)12;1-9(2)12-6-4-5-11-8-7-10(3)13(11)12;1-7(2)8-4-6-11(14)9-3-5-10(13)12(8)9;1-8(2)9-6-7-12(13)11-5-3-4-10(9)11;1-7(2)12-9-5-3-4-8(9)10(13)6-11(12)14;1-7(2)10-6-11(13)8(3)12-9(10)4-5-14-12;1-8(2)10-6-9-4-3-5-11(9)12(13)7-10;1-8(2)9-6-7-12(13)11-5-3-4-10(9)11;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-4-3-5-10-11(8)9(12)6-13-10;1-7(2)10-5-8(12)6-11-9(10)3-4-13-11;1-7(2)11-8-5-6-13-10(8)4-3-9(11)12;1-7(2)8-4-3-5-10-11(8)9(12)6-13-10;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)10-4-3-9-5-6-12-11(9)7-10/h4-8,14H,1-3H3;4-6,8-9H,7H2,1-2H3;5-9,14H,4H2,1-3H3;4,6-9H,5H2,1-3H3;4-7,9H,8H2,1-3H3;4-7H,3H2,1-2H3;3-4,6-8H,5H2,1-2H3;3,5-7H,4H2,1-2H3;4-7,14H,1-3H3;2*3-4,6-8H,5H2,1-2H3;3-5,7-9H,6H2,1-2H3;3,5-9H,4H2,1-2H3;4*3-7,13H,1-2H3;3-5,7-8H,6H2,1-2H3;3-4,6-8H,5H2,1-2H3.
What are the key properties of 3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-chloro-4-propan-2-yl-1H-indene;3-chloro-4-propan-2-yl-1H-indole;5,7-difluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene;7-fluoro-5-propan-2-yl-1H-indene;3-fluoro-4-propan-2-yl-1H-indole;5-fluoro-4-propan-2-yl-1H-indole;6-fluoro-4-propan-2-yl-1H-indole;3-isocyano-4-propan-2-yl-1H-indene;3-methyl-4-propan-2-yl-1H-indene;7-methyl-4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;1-(4-propan-2-yl-1H-indol-7-yl)ethanone;5-propan-2-yl-1H-isoindole?
3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-chloro-4-propan-2-yl-1H-indene;3-chloro-4-propan-2-yl-1H-indole;5,7-difluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene;7-fluoro-5-propan-2-yl-1H-indene;3-fluoro-4-propan-2-yl-1H-indole;5-fluoro-4-propan-2-yl-1H-indole;6-fluoro-4-propan-2-yl-1H-indole;3-isocyano-4-propan-2-yl-1H-indene;3-methyl-4-propan-2-yl-1H-indene;7-methyl-4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;1-(4-propan-2-yl-1H-indol-7-yl)ethanone;5-propan-2-yl-1H-isoindole has a molecular weight of 3417.95 g/mol, XLogP of 67.79, 21 rotatable bonds, 7 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-chloro-4-propan-2-yl-1H-indene;3-chloro-4-propan-2-yl-1H-indole;5,7-difluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene;7-fluoro-5-propan-2-yl-1H-indene;3-fluoro-4-propan-2-yl-1H-indole;5-fluoro-4-propan-2-yl-1H-indole;6-fluoro-4-propan-2-yl-1H-indole;3-isocyano-4-propan-2-yl-1H-indene;3-methyl-4-propan-2-yl-1H-indene;7-methyl-4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indene;5-propan-2-yl-1H-indene;6-propan-2-yl-3H-indole;1-(4-propan-2-yl-1H-indol-7-yl)ethanone;5-propan-2-yl-1H-isoindole is sourced from PubChem (CID 158196242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).