6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;2-cyclopentyl-6-methyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;(3R)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;(3S)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole

C180H147Cl3F18N10OS3 — CID 162114240

IUPAC6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;2-cyclopentyl-6-methyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;(3R)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;(3S)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
SMILESCc1ccc2c(C(CC(F)(F)F)c3ccccc3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC(F)(F)F)c3cccs3)c(C3CCCC3)[nH]c2c1.Cc1ccc2c([C@@H](CC#N)c3ccccc3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c([C@H](CC#N)c3ccccc3)c(-c3ccccc3)[nH]c2c1.FC(F)(F)CC(c1ccccc1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12.FC(F)(F)CC(c1ccco1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12.FC(F)(F)CC(c1cccs1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C24H20F3N.2C24H20N2.C23H17ClF3N.C22H18F3NS.C21H15ClF3NO.C21H15ClF3NS.C21H22F3NS/c1-16-12-13-19-21(14-16)28-23(18-10-6-3-7-11-18)22(19)20(15-24(25,26)27)17-8-4-2-5-9-17;2*1-17-12-13-21-22(16-17)26-24(19-10-6-3-7-11-19)23(21)20(14-15-25)18-8-4-2-5-9-18;24-17-11-12-18-20(13-17)28-22(16-9-5-2-6-10-16)21(18)19(14-23(25,26)27)15-7-3-1-4-8-15;1-14-9-10-16-18(12-14)26-21(15-6-3-2-4-7-15)20(16)17(13-22(23,24)25)19-8-5-11-27-19;2*22-14-8-9-15-17(11-14)26-20(13-5-2-1-3-6-13)19(15)16(12-21(23,24)25)18-7-4-10-27-18;1-13-8-9-15-17(11-13)25-20(14-5-2-3-6-14)19(15)16(12-21(22,23)24)18-7-4-10-26-18/h2-14,20,28H,15H2,1H3;2*2-13,16,20,26H,14H2,1H3;1-13,19,28H,14H2;2-12,17,26H,13H2,1H3;2*1-11,16,26H,12H2;4,7-11,14,16,25H,2-3,5-6,12H2,1H3/t;2*20-;;;;;/m.10...../s1
InChIKeyZGOBVDHJEATULS-LTYVJHSJSA-N
MW3010.75 g/mol
LogP56.55
Rot. Bonds32

About 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;2-cyclopentyl-6-methyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;(3R)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;(3S)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole

6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;2-cyclopentyl-6-methyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;(3R)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;(3S)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole (PubChem CID 162114240) has the molecular formula C180H147Cl3F18N10OS3 and a molecular weight of 3010.75 g/mol. Its IUPAC name is 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;2-cyclopentyl-6-methyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;(3R)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;(3S)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole.

Molecular Properties

Compound Name6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;2-cyclopentyl-6-methyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;(3R)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;(3S)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
PubChem CID162114240
Molecular FormulaC180H147Cl3F18N10OS3
Molecular Weight3010.75 g/mol
Exact Mass3006.97
IUPAC Name6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;2-cyclopentyl-6-methyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;(3R)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;(3S)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
SMILESCc1ccc2c(C(CC(F)(F)F)c3ccccc3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC(F)(F)F)c3cccs3)c(C3CCCC3)[nH]c2c1.Cc1ccc2c([C@@H](CC#N)c3ccccc3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c([C@H](CC#N)c3ccccc3)c(-c3ccccc3)[nH]c2c1.FC(F)(F)CC(c1ccccc1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12.FC(F)(F)CC(c1ccco1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12.FC(F)(F)CC(c1cccs1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C24H20F3N.2C24H20N2.C23H17ClF3N.C22H18F3NS.C21H15ClF3NO.C21H15ClF3NS.C21H22F3NS/c1-16-12-13-19-21(14-16)28-23(18-10-6-3-7-11-18)22(19)20(15-24(25,26)27)17-8-4-2-5-9-17;2*1-17-12-13-21-22(16-17)26-24(19-10-6-3-7-11-19)23(21)20(14-15-25)18-8-4-2-5-9-18;24-17-11-12-18-20(13-17)28-22(16-9-5-2-6-10-16)21(18)19(14-23(25,26)27)15-7-3-1-4-8-15;1-14-9-10-16-18(12-14)26-21(15-6-3-2-4-7-15)20(16)17(13-22(23,24)25)19-8-5-11-27-19;2*22-14-8-9-15-17(11-14)26-20(13-5-2-1-3-6-13)19(15)16(12-21(23,24)25)18-7-4-10-27-18;1-13-8-9-15-17(11-13)25-20(14-5-2-3-6-14)19(15)16(12-21(22,23)24)18-7-4-10-26-18/h2-14,20,28H,15H2,1H3;2*2-13,16,20,26H,14H2,1H3;1-13,19,28H,14H2;2-12,17,26H,13H2,1H3;2*1-11,16,26H,12H2;4,7-11,14,16,25H,2-3,5-6,12H2,1H3/t;2*20-;;;;;/m.10...../s1
InChIKeyZGOBVDHJEATULS-LTYVJHSJSA-N
XLogP56.55
TPSA187.04 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds32
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003010.75
LogP ≤ 556.55
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;2-cyclopentyl-6-methyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;(3R)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;(3S)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole with MolForge

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Related Compounds

3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-[6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-(6-methyl-2-phenyl-1H-indol-3-yl)propyl]furan-3-yl]-1H-indol-3-yl]propyl]thiophen-3-yl]-1H-indole
CID 139394506
6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;bis(6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole)
CID 157243198
6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;2-cyclopentyl-6-methyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
CID 158458873
6-chloro-2-phenyl-3-[(1S)-3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-[(1R)-3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-[(1S)-3,3,3-trifluoro-1-thiophen-2-ylpropyl]-1H-indole;6-chloro-2-phenyl-3-[(1R)-3,3,3-trifluoro-1-thiophen-2-ylpropyl]-1H-indole;6-methyl-2-phenyl-3-[(1S)-3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-[(1R)-3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-[(1R)-3,3,3-trifluoro-1-thiophen-2-ylpropyl]-1H-indole
CID 158512955
6-chloro-2-phenyl-3-[(1S)-3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-[(1R)-3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;3-[(2S)-1-cyclopropyl-4,4,4-trifluorobutan-2-yl]-6-methyl-2-phenyl-1H-indole;3-[(2R)-1-cyclopropyl-4,4,4-trifluorobutan-2-yl]-6-methyl-2-phenyl-1H-indole;6-methyl-2-phenyl-3-[(1S)-3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-[(1R)-3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-[(1S)-3,3,3-trifluoro-1-thiophen-2-ylpropyl]-1H-indole;6-methyl-2-phenyl-3-[(1R)-3,3,3-trifluoro-1-thiophen-2-ylpropyl]-1H-indole
CID 158923872
6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
CID 158986842
3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-1H-indole;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-phenylmethyl]propanedinitrile;3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;2-[(6-methyl-2-phenyl-1H-indol-3-yl)-thiophen-2-ylmethyl]propanedinitrile;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;1,1,1-trifluoro-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropan-2-one
CID 161433450
3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-1H-indole;6-methyl-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;1,1,1-trifluoro-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropan-2-one
CID 161622470

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;2-cyclopentyl-6-methyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;(3R)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;(3S)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole?
The IUPAC name of 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;2-cyclopentyl-6-methyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;(3R)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;(3S)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole (CID 162114240) is 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;2-cyclopentyl-6-methyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;(3R)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;(3S)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole.
What is the SMILES notation for 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;2-cyclopentyl-6-methyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;(3R)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;(3S)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole?
The canonical SMILES for 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;2-cyclopentyl-6-methyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;(3R)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;(3S)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole is Cc1ccc2c(C(CC(F)(F)F)c3ccccc3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c(C(CC(F)(F)F)c3cccs3)c(C3CCCC3)[nH]c2c1.Cc1ccc2c([C@@H](CC#N)c3ccccc3)c(-c3ccccc3)[nH]c2c1.Cc1ccc2c([C@H](CC#N)c3ccccc3)c(-c3ccccc3)[nH]c2c1.FC(F)(F)CC(c1ccccc1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12.FC(F)(F)CC(c1ccco1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12.FC(F)(F)CC(c1cccs1)c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;2-cyclopentyl-6-methyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;(3R)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;(3S)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole?
The InChIKey is ZGOBVDHJEATULS-LTYVJHSJSA-N. The full InChI is InChI=1S/C24H20F3N.2C24H20N2.C23H17ClF3N.C22H18F3NS.C21H15ClF3NO.C21H15ClF3NS.C21H22F3NS/c1-16-12-13-19-21(14-16)28-23(18-10-6-3-7-11-18)22(19)20(15-24(25,26)27)17-8-4-2-5-9-17;2*1-17-12-13-21-22(16-17)26-24(19-10-6-3-7-11-19)23(21)20(14-15-25)18-8-4-2-5-9-18;24-17-11-12-18-20(13-17)28-22(16-9-5-2-6-10-16)21(18)19(14-23(25,26)27)15-7-3-1-4-8-15;1-14-9-10-16-18(12-14)26-21(15-6-3-2-4-7-15)20(16)17(13-22(23,24)25)19-8-5-11-27-19;2*22-14-8-9-15-17(11-14)26-20(13-5-2-1-3-6-13)19(15)16(12-21(23,24)25)18-7-4-10-27-18;1-13-8-9-15-17(11-13)25-20(14-5-2-3-6-14)19(15)16(12-21(22,23)24)18-7-4-10-26-18/h2-14,20,28H,15H2,1H3;2*2-13,16,20,26H,14H2,1H3;1-13,19,28H,14H2;2-12,17,26H,13H2,1H3;2*1-11,16,26H,12H2;4,7-11,14,16,25H,2-3,5-6,12H2,1H3/t;2*20-;;;;;/m.10...../s1.
What are the key properties of 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;2-cyclopentyl-6-methyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;(3R)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;(3S)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole?
6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;2-cyclopentyl-6-methyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;(3R)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;(3S)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole has a molecular weight of 3010.75 g/mol, XLogP of 56.55, 32 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenyl-3-[3,3,3-trifluoro-1-(furan-2-yl)propyl]-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-chloro-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;2-cyclopentyl-6-methyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole;(3R)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;(3S)-3-(6-methyl-2-phenyl-1H-indol-3-yl)-3-phenylpropanenitrile;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-phenylpropyl)-1H-indole;6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole is sourced from PubChem (CID 162114240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).