5-bromo-3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;3-(6-bromo-2,3-dihydro-1H-indol-2-yl)-6-methyl-1H-indole;1-(6-bromo-1H-indol-2-yl)-2-(2-hydroxy-3-methylphenyl)ethanone;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-nitro-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-phenylmethoxy-1H-indole;3-(1-methyl-3a,7a-dihydroindol-2-yl)-1H-indole;hydrochloride

C148H137Br4Cl2N15O5 — CID 159687735

IUPAC5-bromo-3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;3-(6-bromo-2,3-dihydro-1H-indol-2-yl)-6-methyl-1H-indole;1-(6-bromo-1H-indol-2-yl)-2-(2-hydroxy-3-methylphenyl)ethanone;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-nitro-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-phenylmethoxy-1H-indole;3-(1-methyl-3a,7a-dihydroindol-2-yl)-1H-indole;hydrochloride
SMILESBrc1ccc2c(c1)CC(c1c[nH]c3ccc(Br)cc13)N2.CC1(C)c2ccccc2NC1C1=CCc2ccc(Cl)cc21.CC1(C)c2ccccc2NC1c1c[nH]c2c(OCc3ccccc3)cccc12.CC1(C)c2ccccc2NC1c1c[nH]c2ccc([N+](=O)[O-])cc12.CN1C(c2c[nH]c3ccccc23)=CC2C=CC=CC21.Cc1ccc2c(C3Cc4ccc(Br)cc4N3)c[nH]c2c1.Cc1cccc(CC(=O)c2cc3ccc(Br)cc3[nH]2)c1O.Cl.Cn1cc(C2Nc3ccccc3C2(C)C)c2ccccc21
InChIInChI=1S/C25H24N2O.C19H18ClN.C19H20N2.C18H17N3O2.C17H15BrN2.C17H14BrNO2.C17H16N2.C16H12Br2N2.ClH/c1-25(2)20-12-6-7-13-21(20)27-24(25)19-15-26-23-18(19)11-8-14-22(23)28-16-17-9-4-3-5-10-17;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;1-19(2)15-9-5-6-10-16(15)20-18(19)14-12-21(3)17-11-7-4-8-13(14)17;1-18(2)14-5-3-4-6-16(14)20-17(18)13-10-19-15-8-7-11(21(22)23)9-12(13)15;1-10-2-5-13-14(9-19-16(13)6-10)17-7-11-3-4-12(18)8-15(11)20-17;1-10-3-2-4-12(17(10)21)8-16(20)15-7-11-5-6-13(18)9-14(11)19-15;1-19-16-9-5-2-6-12(16)10-17(19)14-11-18-15-8-4-3-7-13(14)15;17-10-1-3-14-9(5-10)6-16(20-14)13-8-19-15-4-2-11(18)7-12(13)15;/h3-15,24,26-27H,16H2,1-2H3;3-7,9-11,18,21H,8H2,1-2H3;4-12,18,20H,1-3H3;3-10,17,19-20H,1-2H3;2-6,8-9,17,19-20H,7H2,1H3;2-7,9,19,21H,8H2,1H3;2-12,16,18H,1H3;1-5,7-8,16,19-20H,6H2;1H
InChIKeyQZZSTQBPLGRVCJ-UHFFFAOYSA-N
MW2596.35 g/mol
LogP39.09
Rot. Bonds14

About 5-bromo-3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;3-(6-bromo-2,3-dihydro-1H-indol-2-yl)-6-methyl-1H-indole;1-(6-bromo-1H-indol-2-yl)-2-(2-hydroxy-3-methylphenyl)ethanone;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-nitro-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-phenylmethoxy-1H-indole;3-(1-methyl-3a,7a-dihydroindol-2-yl)-1H-indole;hydrochloride

5-bromo-3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;3-(6-bromo-2,3-dihydro-1H-indol-2-yl)-6-methyl-1H-indole;1-(6-bromo-1H-indol-2-yl)-2-(2-hydroxy-3-methylphenyl)ethanone;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-nitro-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-phenylmethoxy-1H-indole;3-(1-methyl-3a,7a-dihydroindol-2-yl)-1H-indole;hydrochloride (PubChem CID 159687735) has the molecular formula C148H137Br4Cl2N15O5 and a molecular weight of 2596.35 g/mol. Its IUPAC name is 5-bromo-3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;3-(6-bromo-2,3-dihydro-1H-indol-2-yl)-6-methyl-1H-indole;1-(6-bromo-1H-indol-2-yl)-2-(2-hydroxy-3-methylphenyl)ethanone;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-nitro-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-phenylmethoxy-1H-indole;3-(1-methyl-3a,7a-dihydroindol-2-yl)-1H-indole;hydrochloride.

Molecular Properties

Compound Name5-bromo-3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;3-(6-bromo-2,3-dihydro-1H-indol-2-yl)-6-methyl-1H-indole;1-(6-bromo-1H-indol-2-yl)-2-(2-hydroxy-3-methylphenyl)ethanone;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-nitro-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-phenylmethoxy-1H-indole;3-(1-methyl-3a,7a-dihydroindol-2-yl)-1H-indole;hydrochloride
PubChem CID159687735
Molecular FormulaC148H137Br4Cl2N15O5
Molecular Weight2596.35 g/mol
Exact Mass2589.70
IUPAC Name5-bromo-3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;3-(6-bromo-2,3-dihydro-1H-indol-2-yl)-6-methyl-1H-indole;1-(6-bromo-1H-indol-2-yl)-2-(2-hydroxy-3-methylphenyl)ethanone;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-nitro-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-phenylmethoxy-1H-indole;3-(1-methyl-3a,7a-dihydroindol-2-yl)-1H-indole;hydrochloride
SMILESBrc1ccc2c(c1)CC(c1c[nH]c3ccc(Br)cc13)N2.CC1(C)c2ccccc2NC1C1=CCc2ccc(Cl)cc21.CC1(C)c2ccccc2NC1c1c[nH]c2c(OCc3ccccc3)cccc12.CC1(C)c2ccccc2NC1c1c[nH]c2ccc([N+](=O)[O-])cc12.CN1C(c2c[nH]c3ccccc23)=CC2C=CC=CC21.Cc1ccc2c(C3Cc4ccc(Br)cc4N3)c[nH]c2c1.Cc1cccc(CC(=O)c2cc3ccc(Br)cc3[nH]2)c1O.Cl.Cn1cc(C2Nc3ccccc3C2(C)C)c2ccccc21
InChIInChI=1S/C25H24N2O.C19H18ClN.C19H20N2.C18H17N3O2.C17H15BrN2.C17H14BrNO2.C17H16N2.C16H12Br2N2.ClH/c1-25(2)20-12-6-7-13-21(20)27-24(25)19-15-26-23-18(19)11-8-14-22(23)28-16-17-9-4-3-5-10-17;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;1-19(2)15-9-5-6-10-16(15)20-18(19)14-12-21(3)17-11-7-4-8-13(14)17;1-18(2)14-5-3-4-6-16(14)20-17(18)13-10-19-15-8-7-11(21(22)23)9-12(13)15;1-10-2-5-13-14(9-19-16(13)6-10)17-7-11-3-4-12(18)8-15(11)20-17;1-10-3-2-4-12(17(10)21)8-16(20)15-7-11-5-6-13(18)9-14(11)19-15;1-19-16-9-5-2-6-12(16)10-17(19)14-11-18-15-8-4-3-7-13(14)15;17-10-1-3-14-9(5-10)6-16(20-14)13-8-19-15-4-2-11(18)7-12(13)15;/h3-15,24,26-27H,16H2,1-2H3;3-7,9-11,18,21H,8H2,1-2H3;4-12,18,20H,1-3H3;3-10,17,19-20H,1-2H3;2-6,8-9,17,19-20H,7H2,1H3;2-7,9,19,21H,8H2,1H3;2-12,16,18H,1H3;1-5,7-8,16,19-20H,6H2;1H
InChIKeyQZZSTQBPLGRVCJ-UHFFFAOYSA-N
XLogP39.09
TPSA264.76 Ų
H-Bond Donors13
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms174
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002596.35
LogP ≤ 539.09
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;3-(6-bromo-2,3-dihydro-1H-indol-2-yl)-6-methyl-1H-indole;1-(6-bromo-1H-indol-2-yl)-2-(2-hydroxy-3-methylphenyl)ethanone;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-nitro-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-phenylmethoxy-1H-indole;3-(1-methyl-3a,7a-dihydroindol-2-yl)-1H-indole;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;3-(6-bromo-2,3-dihydro-1H-indol-2-yl)-6-methyl-1H-indole;1-(6-bromo-1H-indol-2-yl)-2-(2-hydroxy-3-methylphenyl)ethanone;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-nitro-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-phenylmethoxy-1H-indole;3-(1-methyl-3a,7a-dihydroindol-2-yl)-1H-indole;hydrochloride?
The IUPAC name of 5-bromo-3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;3-(6-bromo-2,3-dihydro-1H-indol-2-yl)-6-methyl-1H-indole;1-(6-bromo-1H-indol-2-yl)-2-(2-hydroxy-3-methylphenyl)ethanone;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-nitro-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-phenylmethoxy-1H-indole;3-(1-methyl-3a,7a-dihydroindol-2-yl)-1H-indole;hydrochloride (CID 159687735) is 5-bromo-3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;3-(6-bromo-2,3-dihydro-1H-indol-2-yl)-6-methyl-1H-indole;1-(6-bromo-1H-indol-2-yl)-2-(2-hydroxy-3-methylphenyl)ethanone;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-nitro-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-phenylmethoxy-1H-indole;3-(1-methyl-3a,7a-dihydroindol-2-yl)-1H-indole;hydrochloride.
What is the SMILES notation for 5-bromo-3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;3-(6-bromo-2,3-dihydro-1H-indol-2-yl)-6-methyl-1H-indole;1-(6-bromo-1H-indol-2-yl)-2-(2-hydroxy-3-methylphenyl)ethanone;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-nitro-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-phenylmethoxy-1H-indole;3-(1-methyl-3a,7a-dihydroindol-2-yl)-1H-indole;hydrochloride?
The canonical SMILES for 5-bromo-3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;3-(6-bromo-2,3-dihydro-1H-indol-2-yl)-6-methyl-1H-indole;1-(6-bromo-1H-indol-2-yl)-2-(2-hydroxy-3-methylphenyl)ethanone;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-nitro-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-phenylmethoxy-1H-indole;3-(1-methyl-3a,7a-dihydroindol-2-yl)-1H-indole;hydrochloride is Brc1ccc2c(c1)CC(c1c[nH]c3ccc(Br)cc13)N2.CC1(C)c2ccccc2NC1C1=CCc2ccc(Cl)cc21.CC1(C)c2ccccc2NC1c1c[nH]c2c(OCc3ccccc3)cccc12.CC1(C)c2ccccc2NC1c1c[nH]c2ccc([N+](=O)[O-])cc12.CN1C(c2c[nH]c3ccccc23)=CC2C=CC=CC21.Cc1ccc2c(C3Cc4ccc(Br)cc4N3)c[nH]c2c1.Cc1cccc(CC(=O)c2cc3ccc(Br)cc3[nH]2)c1O.Cl.Cn1cc(C2Nc3ccccc3C2(C)C)c2ccccc21.
What is the InChIKey of 5-bromo-3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;3-(6-bromo-2,3-dihydro-1H-indol-2-yl)-6-methyl-1H-indole;1-(6-bromo-1H-indol-2-yl)-2-(2-hydroxy-3-methylphenyl)ethanone;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-nitro-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-phenylmethoxy-1H-indole;3-(1-methyl-3a,7a-dihydroindol-2-yl)-1H-indole;hydrochloride?
The InChIKey is QZZSTQBPLGRVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O.C19H18ClN.C19H20N2.C18H17N3O2.C17H15BrN2.C17H14BrNO2.C17H16N2.C16H12Br2N2.ClH/c1-25(2)20-12-6-7-13-21(20)27-24(25)19-15-26-23-18(19)11-8-14-22(23)28-16-17-9-4-3-5-10-17;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;1-19(2)15-9-5-6-10-16(15)20-18(19)14-12-21(3)17-11-7-4-8-13(14)17;1-18(2)14-5-3-4-6-16(14)20-17(18)13-10-19-15-8-7-11(21(22)23)9-12(13)15;1-10-2-5-13-14(9-19-16(13)6-10)17-7-11-3-4-12(18)8-15(11)20-17;1-10-3-2-4-12(17(10)21)8-16(20)15-7-11-5-6-13(18)9-14(11)19-15;1-19-16-9-5-2-6-12(16)10-17(19)14-11-18-15-8-4-3-7-13(14)15;17-10-1-3-14-9(5-10)6-16(20-14)13-8-19-15-4-2-11(18)7-12(13)15;/h3-15,24,26-27H,16H2,1-2H3;3-7,9-11,18,21H,8H2,1-2H3;4-12,18,20H,1-3H3;3-10,17,19-20H,1-2H3;2-6,8-9,17,19-20H,7H2,1H3;2-7,9,19,21H,8H2,1H3;2-12,16,18H,1H3;1-5,7-8,16,19-20H,6H2;1H.
What are the key properties of 5-bromo-3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;3-(6-bromo-2,3-dihydro-1H-indol-2-yl)-6-methyl-1H-indole;1-(6-bromo-1H-indol-2-yl)-2-(2-hydroxy-3-methylphenyl)ethanone;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-nitro-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-phenylmethoxy-1H-indole;3-(1-methyl-3a,7a-dihydroindol-2-yl)-1H-indole;hydrochloride?
5-bromo-3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;3-(6-bromo-2,3-dihydro-1H-indol-2-yl)-6-methyl-1H-indole;1-(6-bromo-1H-indol-2-yl)-2-(2-hydroxy-3-methylphenyl)ethanone;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-nitro-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-phenylmethoxy-1H-indole;3-(1-methyl-3a,7a-dihydroindol-2-yl)-1H-indole;hydrochloride has a molecular weight of 2596.35 g/mol, XLogP of 39.09, 14 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(5-bromo-2,3-dihydro-1H-indol-2-yl)-1H-indole;3-(6-bromo-2,3-dihydro-1H-indol-2-yl)-6-methyl-1H-indole;1-(6-bromo-1H-indol-2-yl)-2-(2-hydroxy-3-methylphenyl)ethanone;2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-methylindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-5-nitro-1H-indole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-phenylmethoxy-1H-indole;3-(1-methyl-3a,7a-dihydroindol-2-yl)-1H-indole;hydrochloride is sourced from PubChem (CID 159687735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).