3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-6-methyl-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-methyl-1H-indole;5-fluoro-3-(1H-indol-2-yl)-1H-indole;2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(1H-indol-3-yl)-3,3-dimethylindole;2-(1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];2-(1H-indol-3-yl)-5-(trifluoromethyl)-1H-indole;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-7-ol

C168H156F4N18O2 — CID 160972000

IUPAC3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-6-methyl-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-methyl-1H-indole;5-fluoro-3-(1H-indol-2-yl)-1H-indole;2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(1H-indol-3-yl)-3,3-dimethylindole;2-(1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];2-(1H-indol-3-yl)-5-(trifluoromethyl)-1H-indole;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-7-ol
SMILESCC1(C)C(c2c[nH]c3ccccc23)=Nc2ccccc21.CC1(C)c2ccccc2NC1c1c[nH]c2ccccc12.COc1cccc2c(-c3cc(C)c4ccccc4n3)c[nH]c12.Cc1ccc2c(C3Nc4ccccc4C3(C)C)c[nH]c2c1.Cc1cccc2c(C3Nc4ccccc4C3(C)C)c[nH]c12.FC(F)(F)c1ccc2[nH]c(-c3c[nH]c4ccccc34)cc2c1.Fc1ccc2[nH]cc(-c3cc4ccccc4[nH]3)c2c1.Oc1cccc2c(C3Nc4ccccc4C34CCCCC4)c[nH]c12.c1ccc2c(c1)NC(c1c[nH]c3ccccc13)C21CCCCC1
InChIInChI=1S/C21H22N2O.C21H22N2.C19H16N2O.2C19H20N2.C18H18N2.C18H16N2.C17H11F3N2.C16H11FN2/c24-18-10-6-7-14-15(13-22-19(14)18)20-21(11-4-1-5-12-21)16-8-2-3-9-17(16)23-20;1-6-12-21(13-7-1)17-9-3-5-11-19(17)23-20(21)16-14-22-18-10-4-2-8-15(16)18;1-12-10-17(21-16-8-4-3-6-13(12)16)15-11-20-19-14(15)7-5-9-18(19)22-2;1-12-7-6-8-13-14(11-20-17(12)13)18-19(2,3)15-9-4-5-10-16(15)21-18;1-12-8-9-13-14(11-20-17(13)10-12)18-19(2,3)15-6-4-5-7-16(15)21-18;2*1-18(2)14-8-4-6-10-16(14)20-17(18)13-11-19-15-9-5-3-7-12(13)15;18-17(19,20)11-5-6-14-10(7-11)8-16(22-14)13-9-21-15-4-2-1-3-12(13)15;17-11-5-6-15-12(8-11)13(9-18-15)16-7-10-3-1-2-4-14(10)19-16/h2-3,6-10,13,20,22-24H,1,4-5,11-12H2;2-5,8-11,14,20,22-23H,1,6-7,12-13H2;3-11,20H,1-2H3;2*4-11,18,20-21H,1-3H3;3-11,17,19-20H,1-2H3;3-11,19H,1-2H3;1-9,21-22H;1-9,18-19H
InChIKeySYJOTMCZQIZIRP-UHFFFAOYSA-N
MW2535.21 g/mol
LogP44.30
Rot. Bonds10

About 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-6-methyl-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-methyl-1H-indole;5-fluoro-3-(1H-indol-2-yl)-1H-indole;2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(1H-indol-3-yl)-3,3-dimethylindole;2-(1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];2-(1H-indol-3-yl)-5-(trifluoromethyl)-1H-indole;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-7-ol

3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-6-methyl-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-methyl-1H-indole;5-fluoro-3-(1H-indol-2-yl)-1H-indole;2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(1H-indol-3-yl)-3,3-dimethylindole;2-(1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];2-(1H-indol-3-yl)-5-(trifluoromethyl)-1H-indole;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-7-ol (PubChem CID 160972000) has the molecular formula C168H156F4N18O2 and a molecular weight of 2535.21 g/mol. Its IUPAC name is 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-6-methyl-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-methyl-1H-indole;5-fluoro-3-(1H-indol-2-yl)-1H-indole;2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(1H-indol-3-yl)-3,3-dimethylindole;2-(1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];2-(1H-indol-3-yl)-5-(trifluoromethyl)-1H-indole;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-7-ol.

Molecular Properties

Compound Name3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-6-methyl-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-methyl-1H-indole;5-fluoro-3-(1H-indol-2-yl)-1H-indole;2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(1H-indol-3-yl)-3,3-dimethylindole;2-(1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];2-(1H-indol-3-yl)-5-(trifluoromethyl)-1H-indole;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-7-ol
PubChem CID160972000
Molecular FormulaC168H156F4N18O2
Molecular Weight2535.21 g/mol
Exact Mass2533.26
IUPAC Name3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-6-methyl-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-methyl-1H-indole;5-fluoro-3-(1H-indol-2-yl)-1H-indole;2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(1H-indol-3-yl)-3,3-dimethylindole;2-(1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];2-(1H-indol-3-yl)-5-(trifluoromethyl)-1H-indole;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-7-ol
SMILESCC1(C)C(c2c[nH]c3ccccc23)=Nc2ccccc21.CC1(C)c2ccccc2NC1c1c[nH]c2ccccc12.COc1cccc2c(-c3cc(C)c4ccccc4n3)c[nH]c12.Cc1ccc2c(C3Nc4ccccc4C3(C)C)c[nH]c2c1.Cc1cccc2c(C3Nc4ccccc4C3(C)C)c[nH]c12.FC(F)(F)c1ccc2[nH]c(-c3c[nH]c4ccccc34)cc2c1.Fc1ccc2[nH]cc(-c3cc4ccccc4[nH]3)c2c1.Oc1cccc2c(C3Nc4ccccc4C34CCCCC4)c[nH]c12.c1ccc2c(c1)NC(c1c[nH]c3ccccc13)C21CCCCC1
InChIInChI=1S/C21H22N2O.C21H22N2.C19H16N2O.2C19H20N2.C18H18N2.C18H16N2.C17H11F3N2.C16H11FN2/c24-18-10-6-7-14-15(13-22-19(14)18)20-21(11-4-1-5-12-21)16-8-2-3-9-17(16)23-20;1-6-12-21(13-7-1)17-9-3-5-11-19(17)23-20(21)16-14-22-18-10-4-2-8-15(16)18;1-12-10-17(21-16-8-4-3-6-13(12)16)15-11-20-19-14(15)7-5-9-18(19)22-2;1-12-7-6-8-13-14(11-20-17(12)13)18-19(2,3)15-9-4-5-10-16(15)21-18;1-12-8-9-13-14(11-20-17(13)10-12)18-19(2,3)15-6-4-5-7-16(15)21-18;2*1-18(2)14-8-4-6-10-16(14)20-17(18)13-11-19-15-9-5-3-7-12(13)15;18-17(19,20)11-5-6-14-10(7-11)8-16(22-14)13-9-21-15-4-2-1-3-12(13)15;17-11-5-6-15-12(8-11)13(9-18-15)16-7-10-3-1-2-4-14(10)19-16/h2-3,6-10,13,20,22-24H,1,4-5,11-12H2;2-5,8-11,14,20,22-23H,1,6-7,12-13H2;3-11,20H,1-2H3;2*4-11,18,20-21H,1-3H3;3-11,17,19-20H,1-2H3;3-11,19H,1-2H3;1-9,21-22H;1-9,18-19H
InChIKeySYJOTMCZQIZIRP-UHFFFAOYSA-N
XLogP44.30
TPSA288.55 Ų
H-Bond Donors17
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms192
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002535.21
LogP ≤ 544.30
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 109

Analyze 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-6-methyl-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-methyl-1H-indole;5-fluoro-3-(1H-indol-2-yl)-1H-indole;2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(1H-indol-3-yl)-3,3-dimethylindole;2-(1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];2-(1H-indol-3-yl)-5-(trifluoromethyl)-1H-indole;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-6-methyl-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-methyl-1H-indole;5-fluoro-3-(1H-indol-2-yl)-1H-indole;2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(1H-indol-3-yl)-3,3-dimethylindole;2-(1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];2-(1H-indol-3-yl)-5-(trifluoromethyl)-1H-indole;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-7-ol?
The IUPAC name of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-6-methyl-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-methyl-1H-indole;5-fluoro-3-(1H-indol-2-yl)-1H-indole;2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(1H-indol-3-yl)-3,3-dimethylindole;2-(1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];2-(1H-indol-3-yl)-5-(trifluoromethyl)-1H-indole;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-7-ol (CID 160972000) is 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-6-methyl-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-methyl-1H-indole;5-fluoro-3-(1H-indol-2-yl)-1H-indole;2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(1H-indol-3-yl)-3,3-dimethylindole;2-(1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];2-(1H-indol-3-yl)-5-(trifluoromethyl)-1H-indole;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-7-ol.
What is the SMILES notation for 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-6-methyl-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-methyl-1H-indole;5-fluoro-3-(1H-indol-2-yl)-1H-indole;2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(1H-indol-3-yl)-3,3-dimethylindole;2-(1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];2-(1H-indol-3-yl)-5-(trifluoromethyl)-1H-indole;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-7-ol?
The canonical SMILES for 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-6-methyl-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-methyl-1H-indole;5-fluoro-3-(1H-indol-2-yl)-1H-indole;2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(1H-indol-3-yl)-3,3-dimethylindole;2-(1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];2-(1H-indol-3-yl)-5-(trifluoromethyl)-1H-indole;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-7-ol is CC1(C)C(c2c[nH]c3ccccc23)=Nc2ccccc21.CC1(C)c2ccccc2NC1c1c[nH]c2ccccc12.COc1cccc2c(-c3cc(C)c4ccccc4n3)c[nH]c12.Cc1ccc2c(C3Nc4ccccc4C3(C)C)c[nH]c2c1.Cc1cccc2c(C3Nc4ccccc4C3(C)C)c[nH]c12.FC(F)(F)c1ccc2[nH]c(-c3c[nH]c4ccccc34)cc2c1.Fc1ccc2[nH]cc(-c3cc4ccccc4[nH]3)c2c1.Oc1cccc2c(C3Nc4ccccc4C34CCCCC4)c[nH]c12.c1ccc2c(c1)NC(c1c[nH]c3ccccc13)C21CCCCC1.
What is the InChIKey of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-6-methyl-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-methyl-1H-indole;5-fluoro-3-(1H-indol-2-yl)-1H-indole;2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(1H-indol-3-yl)-3,3-dimethylindole;2-(1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];2-(1H-indol-3-yl)-5-(trifluoromethyl)-1H-indole;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-7-ol?
The InChIKey is SYJOTMCZQIZIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O.C21H22N2.C19H16N2O.2C19H20N2.C18H18N2.C18H16N2.C17H11F3N2.C16H11FN2/c24-18-10-6-7-14-15(13-22-19(14)18)20-21(11-4-1-5-12-21)16-8-2-3-9-17(16)23-20;1-6-12-21(13-7-1)17-9-3-5-11-19(17)23-20(21)16-14-22-18-10-4-2-8-15(16)18;1-12-10-17(21-16-8-4-3-6-13(12)16)15-11-20-19-14(15)7-5-9-18(19)22-2;1-12-7-6-8-13-14(11-20-17(12)13)18-19(2,3)15-9-4-5-10-16(15)21-18;1-12-8-9-13-14(11-20-17(13)10-12)18-19(2,3)15-6-4-5-7-16(15)21-18;2*1-18(2)14-8-4-6-10-16(14)20-17(18)13-11-19-15-9-5-3-7-12(13)15;18-17(19,20)11-5-6-14-10(7-11)8-16(22-14)13-9-21-15-4-2-1-3-12(13)15;17-11-5-6-15-12(8-11)13(9-18-15)16-7-10-3-1-2-4-14(10)19-16/h2-3,6-10,13,20,22-24H,1,4-5,11-12H2;2-5,8-11,14,20,22-23H,1,6-7,12-13H2;3-11,20H,1-2H3;2*4-11,18,20-21H,1-3H3;3-11,17,19-20H,1-2H3;3-11,19H,1-2H3;1-9,21-22H;1-9,18-19H.
What are the key properties of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-6-methyl-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-methyl-1H-indole;5-fluoro-3-(1H-indol-2-yl)-1H-indole;2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(1H-indol-3-yl)-3,3-dimethylindole;2-(1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];2-(1H-indol-3-yl)-5-(trifluoromethyl)-1H-indole;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-7-ol?
3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-6-methyl-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-methyl-1H-indole;5-fluoro-3-(1H-indol-2-yl)-1H-indole;2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(1H-indol-3-yl)-3,3-dimethylindole;2-(1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];2-(1H-indol-3-yl)-5-(trifluoromethyl)-1H-indole;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-7-ol has a molecular weight of 2535.21 g/mol, XLogP of 44.30, 10 rotatable bonds, 17 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-6-methyl-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-methyl-1H-indole;5-fluoro-3-(1H-indol-2-yl)-1H-indole;2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(1H-indol-3-yl)-3,3-dimethylindole;2-(1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];2-(1H-indol-3-yl)-5-(trifluoromethyl)-1H-indole;2-(7-methoxy-1H-indol-3-yl)-4-methylquinoline;3-spiro[1,2-dihydroindole-3,1'-cyclohexane]-2-yl-1H-indol-7-ol is sourced from PubChem (CID 160972000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).