2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-[[(1S,4S)-7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]indole;2-[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)indol-1-yl]ethanol;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;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride

C152H160Cl2N14O6S — CID 157224873

IUPAC2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-[[(1S,4S)-7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]indole;2-[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)indol-1-yl]ethanol;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;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
SMILESC=C1C[C@@H]2CC[C@@]1(CS(=O)(=O)n1cc(C3Nc4ccccc4C3(C)C)c3ccccc31)C2(C)C.CC1(C)c2ccccc2NC1C1=CCc2ccc(Cl)cc21.CC1(C)c2ccccc2NC1c1c[nH]c2c(OCc3ccccc3)cccc12.CC1(C)c2ccccc2NC1c1c[nH]c2ccc([N+](=O)[O-])cc12.CC1(C)c2ccccc2NC1c1cn(CCO)c2ccccc12.Cc1ccc2[nH]cc(C3Nc4ccccc4C34CCCCC4)c2c1.Cl.Cn1cc(C2Nc3ccccc3C2(C)C)c2ccccc21
InChIInChI=1S/C29H34N2O2S.C25H24N2O.C22H24N2.C20H22N2O.C19H18ClN.C19H20N2.C18H17N3O2.ClH/c1-19-16-20-14-15-29(19,28(20,4)5)18-34(32,33)31-17-22(21-10-6-9-13-25(21)31)26-27(2,3)23-11-7-8-12-24(23)30-26;1-25(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;1-15-9-10-19-16(13-15)17(14-23-19)21-22(11-5-2-6-12-22)18-7-3-4-8-20(18)24-21;1-20(2)16-8-4-5-9-17(16)21-19(20)15-13-22(11-12-23)18-10-6-3-7-14(15)18;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;/h6-13,17,20,26,30H,1,14-16,18H2,2-5H3;3-15,24,26-27H,16H2,1-2H3;3-4,7-10,13-14,21,23-24H,2,5-6,11-12H2,1H3;3-10,13,19,21,23H,11-12H2,1-2H3;3-7,9-11,18,21H,8H2,1-2H3;4-12,18,20H,1-3H3;3-10,17,19-20H,1-2H3;1H/t20-,26?,29-;;;;;;;/m0......./s1
InChIKeyUKAWGWQKIDERMN-KCALTOEBSA-N
MW2382.02 g/mol
LogP37.38
Rot. Bonds16

About 2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-[[(1S,4S)-7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]indole;2-[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)indol-1-yl]ethanol;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;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride

2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-[[(1S,4S)-7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]indole;2-[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)indol-1-yl]ethanol;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;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride (PubChem CID 157224873) has the molecular formula C152H160Cl2N14O6S and a molecular weight of 2382.02 g/mol. Its IUPAC name is 2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-[[(1S,4S)-7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]indole;2-[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)indol-1-yl]ethanol;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;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride.

Molecular Properties

Compound Name2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-[[(1S,4S)-7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]indole;2-[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)indol-1-yl]ethanol;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;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
PubChem CID157224873
Molecular FormulaC152H160Cl2N14O6S
Molecular Weight2382.02 g/mol
Exact Mass2379.17
IUPAC Name2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-[[(1S,4S)-7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]indole;2-[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)indol-1-yl]ethanol;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;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
SMILESC=C1C[C@@H]2CC[C@@]1(CS(=O)(=O)n1cc(C3Nc4ccccc4C3(C)C)c3ccccc31)C2(C)C.CC1(C)c2ccccc2NC1C1=CCc2ccc(Cl)cc21.CC1(C)c2ccccc2NC1c1c[nH]c2c(OCc3ccccc3)cccc12.CC1(C)c2ccccc2NC1c1c[nH]c2ccc([N+](=O)[O-])cc12.CC1(C)c2ccccc2NC1c1cn(CCO)c2ccccc12.Cc1ccc2[nH]cc(C3Nc4ccccc4C34CCCCC4)c2c1.Cl.Cn1cc(C2Nc3ccccc3C2(C)C)c2ccccc21
InChIInChI=1S/C29H34N2O2S.C25H24N2O.C22H24N2.C20H22N2O.C19H18ClN.C19H20N2.C18H17N3O2.ClH/c1-19-16-20-14-15-29(19,28(20,4)5)18-34(32,33)31-17-22(21-10-6-9-13-25(21)31)26-27(2,3)23-11-7-8-12-24(23)30-26;1-25(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;1-15-9-10-19-16(13-15)17(14-23-19)21-22(11-5-2-6-12-22)18-7-3-4-8-20(18)24-21;1-20(2)16-8-4-5-9-17(16)21-19(20)15-13-22(11-12-23)18-10-6-3-7-14(15)18;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;/h6-13,17,20,26,30H,1,14-16,18H2,2-5H3;3-15,24,26-27H,16H2,1-2H3;3-4,7-10,13-14,21,23-24H,2,5-6,11-12H2,1H3;3-10,13,19,21,23H,11-12H2,1-2H3;3-7,9-11,18,21H,8H2,1-2H3;4-12,18,20H,1-3H3;3-10,17,19-20H,1-2H3;1H/t20-,26?,29-;;;;;;;/m0......./s1
InChIKeyUKAWGWQKIDERMN-KCALTOEBSA-N
XLogP37.38
TPSA253.11 Ų
H-Bond Donors11
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms175
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002382.02
LogP ≤ 537.38
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-[[(1S,4S)-7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]indole;2-[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)indol-1-yl]ethanol;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;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-[[(1S,4S)-7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]indole;2-[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)indol-1-yl]ethanol;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;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride?
The IUPAC name of 2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-[[(1S,4S)-7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]indole;2-[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)indol-1-yl]ethanol;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;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride (CID 157224873) is 2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-[[(1S,4S)-7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]indole;2-[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)indol-1-yl]ethanol;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;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride.
What is the SMILES notation for 2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-[[(1S,4S)-7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]indole;2-[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)indol-1-yl]ethanol;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;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride?
The canonical SMILES for 2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-[[(1S,4S)-7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]indole;2-[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)indol-1-yl]ethanol;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;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride is C=C1C[C@@H]2CC[C@@]1(CS(=O)(=O)n1cc(C3Nc4ccccc4C3(C)C)c3ccccc31)C2(C)C.CC1(C)c2ccccc2NC1C1=CCc2ccc(Cl)cc21.CC1(C)c2ccccc2NC1c1c[nH]c2c(OCc3ccccc3)cccc12.CC1(C)c2ccccc2NC1c1c[nH]c2ccc([N+](=O)[O-])cc12.CC1(C)c2ccccc2NC1c1cn(CCO)c2ccccc12.Cc1ccc2[nH]cc(C3Nc4ccccc4C34CCCCC4)c2c1.Cl.Cn1cc(C2Nc3ccccc3C2(C)C)c2ccccc21.
What is the InChIKey of 2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-[[(1S,4S)-7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]indole;2-[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)indol-1-yl]ethanol;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;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride?
The InChIKey is UKAWGWQKIDERMN-KCALTOEBSA-N. The full InChI is InChI=1S/C29H34N2O2S.C25H24N2O.C22H24N2.C20H22N2O.C19H18ClN.C19H20N2.C18H17N3O2.ClH/c1-19-16-20-14-15-29(19,28(20,4)5)18-34(32,33)31-17-22(21-10-6-9-13-25(21)31)26-27(2,3)23-11-7-8-12-24(23)30-26;1-25(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;1-15-9-10-19-16(13-15)17(14-23-19)21-22(11-5-2-6-12-22)18-7-3-4-8-20(18)24-21;1-20(2)16-8-4-5-9-17(16)21-19(20)15-13-22(11-12-23)18-10-6-3-7-14(15)18;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;/h6-13,17,20,26,30H,1,14-16,18H2,2-5H3;3-15,24,26-27H,16H2,1-2H3;3-4,7-10,13-14,21,23-24H,2,5-6,11-12H2,1H3;3-10,13,19,21,23H,11-12H2,1-2H3;3-7,9-11,18,21H,8H2,1-2H3;4-12,18,20H,1-3H3;3-10,17,19-20H,1-2H3;1H/t20-,26?,29-;;;;;;;/m0......./s1.
What are the key properties of 2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-[[(1S,4S)-7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]indole;2-[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)indol-1-yl]ethanol;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;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride?
2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-[[(1S,4S)-7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]indole;2-[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)indol-1-yl]ethanol;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;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride has a molecular weight of 2382.02 g/mol, XLogP of 37.38, 16 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3H-inden-1-yl)-3,3-dimethyl-1,2-dihydroindole;3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-1-[[(1S,4S)-7,7-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]indole;2-[3-(3,3-dimethyl-1,2-dihydroindol-2-yl)indol-1-yl]ethanol;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;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride is sourced from PubChem (CID 157224873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).