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]

C160H152Br3N13O4S — CID 158268416

IUPAC5-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]
SMILESCC1(C)c2cc(Br)ccc2NC1c1c[nH]c2ccccc12.CC1(C)c2ccccc2N(Cc2ccc(O)cc2)C1c1c[nH]c2ccccc12.CC1(C)c2ccccc2NC1c1c[nH]c2ccc(Br)cc12.CCOC(=O)CN1c2ccccc2C(C)(C)C1c1c[nH]c2ccccc12.COc1ccc2c(c1)C=C(c1c[nH]c3ccccc13)C2.Cc1ccc2[nH]c(-c3nc4ccccc4s3)cc2c1.Cc1ccc2[nH]cc(C3Nc4ccccc4C34CCCCC4)c2c1.Cc1ccc2c(c1)CC(CCC1=Cc3ccc(Br)cc3C1)=C2
InChIInChI=1S/C25H24N2O.C22H24N2O2.C22H24N2.C21H19Br.2C18H17BrN2.C18H15NO.C16H12N2S/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;1-18(2)14-5-3-4-6-16(14)21-17(18)13-10-20-15-8-7-11(19)9-12(13)15;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;1-10-6-7-12-11(8-10)9-14(17-12)16-18-13-4-2-3-5-15(13)19-16/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;2*3-10,17,20-21H,1-2H3;2-7,9-11,19H,8H2,1H3;2-9,17H,1H3
InChIKeyGISVCHGUWWMIGR-UHFFFAOYSA-N
MW2592.84 g/mol
LogP42.22
Rot. Bonds16

About 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]

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] (PubChem CID 158268416) has the molecular formula C160H152Br3N13O4S and a molecular weight of 2592.84 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name5-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]
PubChem CID158268416
Molecular FormulaC160H152Br3N13O4S
Molecular Weight2592.84 g/mol
Exact Mass2587.94
IUPAC Name5-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]
SMILESCC1(C)c2cc(Br)ccc2NC1c1c[nH]c2ccccc12.CC1(C)c2ccccc2N(Cc2ccc(O)cc2)C1c1c[nH]c2ccccc12.CC1(C)c2ccccc2NC1c1c[nH]c2ccc(Br)cc12.CCOC(=O)CN1c2ccccc2C(C)(C)C1c1c[nH]c2ccccc12.COc1ccc2c(c1)C=C(c1c[nH]c3ccccc13)C2.Cc1ccc2[nH]c(-c3nc4ccccc4s3)cc2c1.Cc1ccc2[nH]cc(C3Nc4ccccc4C34CCCCC4)c2c1.Cc1ccc2c(c1)CC(CCC1=Cc3ccc(Br)cc3C1)=C2
InChIInChI=1S/C25H24N2O.C22H24N2O2.C22H24N2.C21H19Br.2C18H17BrN2.C18H15NO.C16H12N2S/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;1-18(2)14-5-3-4-6-16(14)21-17(18)13-10-20-15-8-7-11(19)9-12(13)15;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;1-10-6-7-12-11(8-10)9-14(17-12)16-18-13-4-2-3-5-15(13)19-16/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;2*3-10,17,20-21H,1-2H3;2-7,9-11,19H,8H2,1H3;2-9,17H,1H3
InChIKeyGISVCHGUWWMIGR-UHFFFAOYSA-N
XLogP42.22
TPSA221.75 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002592.84
LogP ≤ 542.22
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

Analyze 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] with MolForge

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Related Compounds

5-bromo-3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1H-indole;2-(5-bromo-1H-indol-2-yl)-1,3-benzothiazole;2-(1H-indol-3-yl)-5-methoxy-1H-indole
CID 144941164
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
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

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is CC1(C)c2cc(Br)ccc2NC1c1c[nH]c2ccccc12.CC1(C)c2ccccc2N(Cc2ccc(O)cc2)C1c1c[nH]c2ccccc12.CC1(C)c2ccccc2NC1c1c[nH]c2ccc(Br)cc12.CCOC(=O)CN1c2ccccc2C(C)(C)C1c1c[nH]c2ccccc12.COc1ccc2c(c1)C=C(c1c[nH]c3ccccc13)C2.Cc1ccc2[nH]c(-c3nc4ccccc4s3)cc2c1.Cc1ccc2[nH]cc(C3Nc4ccccc4C34CCCCC4)c2c1.Cc1ccc2c(c1)CC(CCC1=Cc3ccc(Br)cc3C1)=C2.
What is the InChIKey of 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]?
The InChIKey is GISVCHGUWWMIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O.C22H24N2O2.C22H24N2.C21H19Br.2C18H17BrN2.C18H15NO.C16H12N2S/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;1-18(2)14-5-3-4-6-16(14)21-17(18)13-10-20-15-8-7-11(19)9-12(13)15;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;1-10-6-7-12-11(8-10)9-14(17-12)16-18-13-4-2-3-5-15(13)19-16/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;2*3-10,17,20-21H,1-2H3;2-7,9-11,19H,8H2,1H3;2-9,17H,1H3.
What are the key properties of 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]?
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] has a molecular weight of 2592.84 g/mol, XLogP of 42.22, 16 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 158268416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).