2-[2-(6-bromo-1H-inden-2-yl)ethyl]-6-methyl-1H-indene;5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;4-[[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]methyl]phenol;3-(5-methoxy-1H-inden-2-yl)-1H-indole;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride

C145H142Br2Cl2N10O4 — CID 161381458

IUPAC2-[2-(6-bromo-1H-inden-2-yl)ethyl]-6-methyl-1H-indene;5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;4-[[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]methyl]phenol;3-(5-methoxy-1H-inden-2-yl)-1H-indole;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
SMILESCC1(C)c2cc(Br)ccc2NC1c1c[nH]c2ccccc12.CC1(C)c2ccccc2N(Cc2ccc(O)cc2)C1c1c[nH]c2ccccc12.CC1(C)c2ccccc2NC1C1=CCc2ccc(Cl)cc21.CCOC(=O)CN1c2ccccc2C(C)(C)C1c1c[nH]c2ccccc12.COc1ccc2c(c1)C=C(c1c[nH]c3ccccc13)C2.Cc1ccc2[nH]cc(C3Nc4ccccc4C34CCCCC4)c2c1.Cc1ccc2c(c1)CC(CCC1=Cc3ccc(Br)cc3C1)=C2.Cl
InChIInChI=1S/C25H24N2O.C22H24N2O2.C22H24N2.C21H19Br.C19H18ClN.C18H17BrN2.C18H15NO.ClH/c1-25(2)21-8-4-6-10-23(21)27(16-17-11-13-18(28)14-12-17)24(25)20-15-26-22-9-5-3-7-19(20)22;1-4-26-20(25)14-24-19-12-8-6-10-17(19)22(2,3)21(24)16-13-23-18-11-7-5-9-15(16)18;1-15-9-10-19-16(13-15)17(14-23-19)21-22(11-5-2-6-12-22)18-7-3-4-8-20(18)24-21;1-14-2-5-17-9-15(11-19(17)8-14)3-4-16-10-18-6-7-21(22)13-20(18)12-16;1-19(2)16-5-3-4-6-17(16)21-18(19)14-10-8-12-7-9-13(20)11-15(12)14;1-18(2)14-9-11(19)7-8-16(14)21-17(18)13-10-20-15-6-4-3-5-12(13)15;1-20-15-7-6-12-8-14(9-13(12)10-15)17-11-19-18-5-3-2-4-16(17)18;/h3-15,24,26,28H,16H2,1-2H3;5-13,21,23H,4,14H2,1-3H3;3-4,7-10,13-14,21,23-24H,2,5-6,11-12H2,1H3;2,5-10,13H,3-4,11-12H2,1H3;3-7,9-11,18,21H,8H2,1-2H3;3-10,17,20-21H,1-2H3;2-7,9-11,19H,8H2,1H3;1H
InChIKeyLPEJLPNBIBAMHT-UHFFFAOYSA-N
MW2319.51 g/mol
LogP37.57
Rot. Bonds15

About 2-[2-(6-bromo-1H-inden-2-yl)ethyl]-6-methyl-1H-indene;5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;4-[[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]methyl]phenol;3-(5-methoxy-1H-inden-2-yl)-1H-indole;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride

2-[2-(6-bromo-1H-inden-2-yl)ethyl]-6-methyl-1H-indene;5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;4-[[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]methyl]phenol;3-(5-methoxy-1H-inden-2-yl)-1H-indole;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride (PubChem CID 161381458) has the molecular formula C145H142Br2Cl2N10O4 and a molecular weight of 2319.51 g/mol. Its IUPAC name is 2-[2-(6-bromo-1H-inden-2-yl)ethyl]-6-methyl-1H-indene;5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;4-[[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]methyl]phenol;3-(5-methoxy-1H-inden-2-yl)-1H-indole;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride.

Molecular Properties

Compound Name2-[2-(6-bromo-1H-inden-2-yl)ethyl]-6-methyl-1H-indene;5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;4-[[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]methyl]phenol;3-(5-methoxy-1H-inden-2-yl)-1H-indole;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
PubChem CID161381458
Molecular FormulaC145H142Br2Cl2N10O4
Molecular Weight2319.51 g/mol
Exact Mass2314.90
IUPAC Name2-[2-(6-bromo-1H-inden-2-yl)ethyl]-6-methyl-1H-indene;5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;4-[[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]methyl]phenol;3-(5-methoxy-1H-inden-2-yl)-1H-indole;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
SMILESCC1(C)c2cc(Br)ccc2NC1c1c[nH]c2ccccc12.CC1(C)c2ccccc2N(Cc2ccc(O)cc2)C1c1c[nH]c2ccccc12.CC1(C)c2ccccc2NC1C1=CCc2ccc(Cl)cc21.CCOC(=O)CN1c2ccccc2C(C)(C)C1c1c[nH]c2ccccc12.COc1ccc2c(c1)C=C(c1c[nH]c3ccccc13)C2.Cc1ccc2[nH]cc(C3Nc4ccccc4C34CCCCC4)c2c1.Cc1ccc2c(c1)CC(CCC1=Cc3ccc(Br)cc3C1)=C2.Cl
InChIInChI=1S/C25H24N2O.C22H24N2O2.C22H24N2.C21H19Br.C19H18ClN.C18H17BrN2.C18H15NO.ClH/c1-25(2)21-8-4-6-10-23(21)27(16-17-11-13-18(28)14-12-17)24(25)20-15-26-22-9-5-3-7-19(20)22;1-4-26-20(25)14-24-19-12-8-6-10-17(19)22(2,3)21(24)16-13-23-18-11-7-5-9-15(16)18;1-15-9-10-19-16(13-15)17(14-23-19)21-22(11-5-2-6-12-22)18-7-3-4-8-20(18)24-21;1-14-2-5-17-9-15(11-19(17)8-14)3-4-16-10-18-6-7-21(22)13-20(18)12-16;1-19(2)16-5-3-4-6-17(16)21-18(19)14-10-8-12-7-9-13(20)11-15(12)14;1-18(2)14-9-11(19)7-8-16(14)21-17(18)13-10-20-15-6-4-3-5-12(13)15;1-20-15-7-6-12-8-14(9-13(12)10-15)17-11-19-18-5-3-2-4-16(17)18;/h3-15,24,26,28H,16H2,1-2H3;5-13,21,23H,4,14H2,1-3H3;3-4,7-10,13-14,21,23-24H,2,5-6,11-12H2,1H3;2,5-10,13H,3-4,11-12H2,1H3;3-7,9-11,18,21H,8H2,1-2H3;3-10,17,20-21H,1-2H3;2-7,9-11,19H,8H2,1H3;1H
InChIKeyLPEJLPNBIBAMHT-UHFFFAOYSA-N
XLogP37.57
TPSA177.28 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002319.51
LogP ≤ 537.57
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Analyze 2-[2-(6-bromo-1H-inden-2-yl)ethyl]-6-methyl-1H-indene;5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;4-[[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]methyl]phenol;3-(5-methoxy-1H-inden-2-yl)-1H-indole;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride with MolForge

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Related Compounds

5-bromo-3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indole;2-[2-(6-bromo-1H-inden-2-yl)ethyl]-6-methyl-1H-indene;5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;4-[[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]methyl]phenol;3-(5-methoxy-1H-inden-2-yl)-1H-indole;2-(5-methyl-1H-indol-2-yl)-1,3-benzothiazole;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 158268416
5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-[2-(6-bromo-1H-indol-2-yl)ethyl]-6-methyl-1H-indole;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;2-(3H-inden-1-yl)-5-methoxy-1H-indole;2-(1H-indol-3-yl)-3,3-dimethyl-1-[(4-methylphenyl)methyl]-2H-indole;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 159484143
5-bromo-3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indole;5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-pyrrolo[2,3-b]pyridine;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;4-[[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]methyl]phenol;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
CID 160046005

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-bromo-1H-inden-2-yl)ethyl]-6-methyl-1H-indene;5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;4-[[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]methyl]phenol;3-(5-methoxy-1H-inden-2-yl)-1H-indole;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride?
The IUPAC name of 2-[2-(6-bromo-1H-inden-2-yl)ethyl]-6-methyl-1H-indene;5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;4-[[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]methyl]phenol;3-(5-methoxy-1H-inden-2-yl)-1H-indole;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride (CID 161381458) is 2-[2-(6-bromo-1H-inden-2-yl)ethyl]-6-methyl-1H-indene;5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;4-[[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]methyl]phenol;3-(5-methoxy-1H-inden-2-yl)-1H-indole;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride.
What is the SMILES notation for 2-[2-(6-bromo-1H-inden-2-yl)ethyl]-6-methyl-1H-indene;5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;4-[[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]methyl]phenol;3-(5-methoxy-1H-inden-2-yl)-1H-indole;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride?
The canonical SMILES for 2-[2-(6-bromo-1H-inden-2-yl)ethyl]-6-methyl-1H-indene;5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;4-[[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]methyl]phenol;3-(5-methoxy-1H-inden-2-yl)-1H-indole;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride is CC1(C)c2cc(Br)ccc2NC1c1c[nH]c2ccccc12.CC1(C)c2ccccc2N(Cc2ccc(O)cc2)C1c1c[nH]c2ccccc12.CC1(C)c2ccccc2NC1C1=CCc2ccc(Cl)cc21.CCOC(=O)CN1c2ccccc2C(C)(C)C1c1c[nH]c2ccccc12.COc1ccc2c(c1)C=C(c1c[nH]c3ccccc13)C2.Cc1ccc2[nH]cc(C3Nc4ccccc4C34CCCCC4)c2c1.Cc1ccc2c(c1)CC(CCC1=Cc3ccc(Br)cc3C1)=C2.Cl.
What is the InChIKey of 2-[2-(6-bromo-1H-inden-2-yl)ethyl]-6-methyl-1H-indene;5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;4-[[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]methyl]phenol;3-(5-methoxy-1H-inden-2-yl)-1H-indole;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride?
The InChIKey is LPEJLPNBIBAMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O.C22H24N2O2.C22H24N2.C21H19Br.C19H18ClN.C18H17BrN2.C18H15NO.ClH/c1-25(2)21-8-4-6-10-23(21)27(16-17-11-13-18(28)14-12-17)24(25)20-15-26-22-9-5-3-7-19(20)22;1-4-26-20(25)14-24-19-12-8-6-10-17(19)22(2,3)21(24)16-13-23-18-11-7-5-9-15(16)18;1-15-9-10-19-16(13-15)17(14-23-19)21-22(11-5-2-6-12-22)18-7-3-4-8-20(18)24-21;1-14-2-5-17-9-15(11-19(17)8-14)3-4-16-10-18-6-7-21(22)13-20(18)12-16;1-19(2)16-5-3-4-6-17(16)21-18(19)14-10-8-12-7-9-13(20)11-15(12)14;1-18(2)14-9-11(19)7-8-16(14)21-17(18)13-10-20-15-6-4-3-5-12(13)15;1-20-15-7-6-12-8-14(9-13(12)10-15)17-11-19-18-5-3-2-4-16(17)18;/h3-15,24,26,28H,16H2,1-2H3;5-13,21,23H,4,14H2,1-3H3;3-4,7-10,13-14,21,23-24H,2,5-6,11-12H2,1H3;2,5-10,13H,3-4,11-12H2,1H3;3-7,9-11,18,21H,8H2,1-2H3;3-10,17,20-21H,1-2H3;2-7,9-11,19H,8H2,1H3;1H.
What are the key properties of 2-[2-(6-bromo-1H-inden-2-yl)ethyl]-6-methyl-1H-indene;5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;4-[[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]methyl]phenol;3-(5-methoxy-1H-inden-2-yl)-1H-indole;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride?
2-[2-(6-bromo-1H-inden-2-yl)ethyl]-6-methyl-1H-indene;5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;4-[[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]methyl]phenol;3-(5-methoxy-1H-inden-2-yl)-1H-indole;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride has a molecular weight of 2319.51 g/mol, XLogP of 37.57, 15 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-bromo-1H-inden-2-yl)ethyl]-6-methyl-1H-indene;5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;4-[[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]methyl]phenol;3-(5-methoxy-1H-inden-2-yl)-1H-indole;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride is sourced from PubChem (CID 161381458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).