2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enenitrile;2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enoic acid;2,3,4,6-tetramethylaniline;1,5,6,7-tetramethylindole-4-carbaldehyde;2-(1,5,6,7-tetramethylindol-4-yl)acetonitrile;3-(5,6,7-trimethyl-1H-indol-4-yl)-3-(5,6,7-trimethyl-3H-indol-2-yl)butanoic acid;bis(5,6,7-trimethyl-2-[2-(5,6,7-trimethyl-1H-indol-4-yl)pent-4-en-2-yl]-3H-indole)

C153H185N13O5 — CID 157229470

IUPAC2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enenitrile;2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enoic acid;2,3,4,6-tetramethylaniline;1,5,6,7-tetramethylindole-4-carbaldehyde;2-(1,5,6,7-tetramethylindol-4-yl)acetonitrile;3-(5,6,7-trimethyl-1H-indol-4-yl)-3-(5,6,7-trimethyl-3H-indol-2-yl)butanoic acid;bis(5,6,7-trimethyl-2-[2-(5,6,7-trimethyl-1H-indol-4-yl)pent-4-en-2-yl]-3H-indole)
SMILESC=CCC(C)(C#N)c1c(C)c(C)c(C)c2c1ccn2C.C=CCC(C)(C(=O)O)c1c(C)c(C)c(C)c2c1ccn2C.C=CCC(C)(C1=Nc2c(cc(C)c(C)c2C)C1)c1c(C)c(C)c(C)c2[nH]ccc12.C=CCC(C)(C1=Nc2c(cc(C)c(C)c2C)C1)c1c(C)c(C)c(C)c2[nH]ccc12.Cc1c(C)c(C)c2c(ccn2C)c1C=O.Cc1c(C)c(C)c2c(ccn2C)c1CC#N.Cc1cc(C)c(N)c(C)c1C.Cc1cc2c(c(C)c1C)N=C(C(C)(CC(=O)O)c1c(C)c(C)c(C)c3[nH]ccc13)C2
InChIInChI=1S/2C27H32N2.C26H30N2O2.C18H22N2.C18H23NO2.C14H16N2.C13H15NO.C10H15N/c2*1-9-11-27(8,23-14-21-13-15(2)16(3)19(6)25(21)29-23)24-18(5)17(4)20(7)26-22(24)10-12-28-26;1-13-10-19-11-21(28-24(19)17(5)14(13)2)26(7,12-22(29)30)23-16(4)15(3)18(6)25-20(23)8-9-27-25;1-7-9-18(5,11-19)16-13(3)12(2)14(4)17-15(16)8-10-20(17)6;1-7-9-18(5,17(20)21)15-12(3)11(2)13(4)16-14(15)8-10-19(16)6;1-9-10(2)12(5-7-15)13-6-8-16(4)14(13)11(9)3;1-8-9(2)12(7-15)11-5-6-14(4)13(11)10(8)3;1-6-5-7(2)10(11)9(4)8(6)3/h2*9-10,12-13,28H,1,11,14H2,2-8H3;8-10,27H,11-12H2,1-7H3,(H,29,30);7-8,10H,1,9H2,2-6H3;7-8,10H,1,9H2,2-6H3,(H,20,21);6,8H,5H2,1-4H3;5-7H,1-4H3;5H,11H2,1-4H3
InChIKeyATXYKQCMRYYAGK-UHFFFAOYSA-N
MW2286.25 g/mol
LogP37.51
Rot. Bonds21

About 2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enenitrile;2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enoic acid;2,3,4,6-tetramethylaniline;1,5,6,7-tetramethylindole-4-carbaldehyde;2-(1,5,6,7-tetramethylindol-4-yl)acetonitrile;3-(5,6,7-trimethyl-1H-indol-4-yl)-3-(5,6,7-trimethyl-3H-indol-2-yl)butanoic acid;bis(5,6,7-trimethyl-2-[2-(5,6,7-trimethyl-1H-indol-4-yl)pent-4-en-2-yl]-3H-indole)

2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enenitrile;2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enoic acid;2,3,4,6-tetramethylaniline;1,5,6,7-tetramethylindole-4-carbaldehyde;2-(1,5,6,7-tetramethylindol-4-yl)acetonitrile;3-(5,6,7-trimethyl-1H-indol-4-yl)-3-(5,6,7-trimethyl-3H-indol-2-yl)butanoic acid;bis(5,6,7-trimethyl-2-[2-(5,6,7-trimethyl-1H-indol-4-yl)pent-4-en-2-yl]-3H-indole) (PubChem CID 157229470) has the molecular formula C153H185N13O5 and a molecular weight of 2286.25 g/mol. Its IUPAC name is 2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enenitrile;2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enoic acid;2,3,4,6-tetramethylaniline;1,5,6,7-tetramethylindole-4-carbaldehyde;2-(1,5,6,7-tetramethylindol-4-yl)acetonitrile;3-(5,6,7-trimethyl-1H-indol-4-yl)-3-(5,6,7-trimethyl-3H-indol-2-yl)butanoic acid;bis(5,6,7-trimethyl-2-[2-(5,6,7-trimethyl-1H-indol-4-yl)pent-4-en-2-yl]-3H-indole).

Molecular Properties

Compound Name2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enenitrile;2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enoic acid;2,3,4,6-tetramethylaniline;1,5,6,7-tetramethylindole-4-carbaldehyde;2-(1,5,6,7-tetramethylindol-4-yl)acetonitrile;3-(5,6,7-trimethyl-1H-indol-4-yl)-3-(5,6,7-trimethyl-3H-indol-2-yl)butanoic acid;bis(5,6,7-trimethyl-2-[2-(5,6,7-trimethyl-1H-indol-4-yl)pent-4-en-2-yl]-3H-indole)
PubChem CID157229470
Molecular FormulaC153H185N13O5
Molecular Weight2286.25 g/mol
Exact Mass2284.46
IUPAC Name2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enenitrile;2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enoic acid;2,3,4,6-tetramethylaniline;1,5,6,7-tetramethylindole-4-carbaldehyde;2-(1,5,6,7-tetramethylindol-4-yl)acetonitrile;3-(5,6,7-trimethyl-1H-indol-4-yl)-3-(5,6,7-trimethyl-3H-indol-2-yl)butanoic acid;bis(5,6,7-trimethyl-2-[2-(5,6,7-trimethyl-1H-indol-4-yl)pent-4-en-2-yl]-3H-indole)
SMILESC=CCC(C)(C#N)c1c(C)c(C)c(C)c2c1ccn2C.C=CCC(C)(C(=O)O)c1c(C)c(C)c(C)c2c1ccn2C.C=CCC(C)(C1=Nc2c(cc(C)c(C)c2C)C1)c1c(C)c(C)c(C)c2[nH]ccc12.C=CCC(C)(C1=Nc2c(cc(C)c(C)c2C)C1)c1c(C)c(C)c(C)c2[nH]ccc12.Cc1c(C)c(C)c2c(ccn2C)c1C=O.Cc1c(C)c(C)c2c(ccn2C)c1CC#N.Cc1cc(C)c(N)c(C)c1C.Cc1cc2c(c(C)c1C)N=C(C(C)(CC(=O)O)c1c(C)c(C)c(C)c3[nH]ccc13)C2
InChIInChI=1S/2C27H32N2.C26H30N2O2.C18H22N2.C18H23NO2.C14H16N2.C13H15NO.C10H15N/c2*1-9-11-27(8,23-14-21-13-15(2)16(3)19(6)25(21)29-23)24-18(5)17(4)20(7)26-22(24)10-12-28-26;1-13-10-19-11-21(28-24(19)17(5)14(13)2)26(7,12-22(29)30)23-16(4)15(3)18(6)25-20(23)8-9-27-25;1-7-9-18(5,11-19)16-13(3)12(2)14(4)17-15(16)8-10-20(17)6;1-7-9-18(5,17(20)21)15-12(3)11(2)13(4)16-14(15)8-10-19(16)6;1-9-10(2)12(5-7-15)13-6-8-16(4)14(13)11(9)3;1-8-9(2)12(7-15)11-5-6-14(4)13(11)10(8)3;1-6-5-7(2)10(11)9(4)8(6)3/h2*9-10,12-13,28H,1,11,14H2,2-8H3;8-10,27H,11-12H2,1-7H3,(H,29,30);7-8,10H,1,9H2,2-6H3;7-8,10H,1,9H2,2-6H3,(H,20,21);6,8H,5H2,1-4H3;5-7H,1-4H3;5H,11H2,1-4H3
InChIKeyATXYKQCMRYYAGK-UHFFFAOYSA-N
XLogP37.51
TPSA269.44 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002286.25
LogP ≤ 537.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enenitrile;2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enoic acid;2,3,4,6-tetramethylaniline;1,5,6,7-tetramethylindole-4-carbaldehyde;2-(1,5,6,7-tetramethylindol-4-yl)acetonitrile;3-(5,6,7-trimethyl-1H-indol-4-yl)-3-(5,6,7-trimethyl-3H-indol-2-yl)butanoic acid;bis(5,6,7-trimethyl-2-[2-(5,6,7-trimethyl-1H-indol-4-yl)pent-4-en-2-yl]-3H-indole) with MolForge

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Related Compounds

6-tert-butyl-5-ethyl-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole;ethyl 6-tert-butyl-1H-indole-5-carboxylate
CID 158131649
3-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid;3-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-2-methyl-1H-indole-5-carboxylic acid
CID 67816731
1-[1-benzyl-5-(dihydroxymethyl)indol-3-yl]ethanone;1-(1-benzyl-5-methylindol-3-yl)ethanone;1-benzyl-5-(methylperoxymethyl)indole;1-[1-benzyl-5-(methylperoxymethyl)indol-3-yl]ethanone;1H-indol-5-ylmethanediol;5-(methylperoxymethyl)-1H-indole
CID 90722680
1-[1-benzyl-5-(dihydroxymethyl)indol-3-yl]ethanone;1-(1-benzyl-5-methylindol-3-yl)ethanone;1-benzyl-5-(methylperoxymethyl)indole;1-[1-benzyl-5-(methylperoxymethyl)indol-3-yl]ethanone;5-(methylperoxymethyl)-1H-indole
CID 91178410
2-[1-[6-[[3-formyl-2-[1-(1H-indol-3-yl)ethyl]-1H-indol-5-yl]methyl]-1H-indol-3-yl]ethyl]-1H-indole-3-carboxylic acid
CID 146186252
2-[1-[5-[[3-formyl-2-[1-(1H-indol-3-yl)ethyl]-1H-indol-5-yl]methyl]-1H-indol-3-yl]ethyl]-5-[3-(1H-indol-2-ylmethyl)-1H-indol-5-yl]-1H-indole-3-carboxylic acid
CID 146190285
5-[[3-[1-(3-formyl-1H-indol-2-yl)ethyl]-1H-indol-6-yl]methyl]-2-[1-[5-[3-(hydroxymethyl)-2-(1H-indol-3-ylmethyl)-1H-indol-5-yl]-1H-indol-3-yl]ethyl]-1H-indole-3-carbaldehyde
CID 153352959
Methane;bis(1,4,5,7-tetramethylindole);1,5,6,7-tetramethylindole-4-carbaldehyde;(1,4,7-trimethylindol-5-yl)methanol
CID 157054039
4-(2,4-difluorophenyl)-2-(3-methyl-3H-inden-1-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(4-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(5-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(6-methyl-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(7-methyl-1H-indol-3-yl)-4-oxobutanoic acid
CID 157152375
methyl 2-(5-naphthalen-2-yl-1H-indol-3-yl)acetate;2-(5-naphthalen-2-yl-1H-indol-3-yl)acetic acid
CID 157198438
9H-carbazole-3-carbaldehyde;1,4-dimethyl-9H-carbazole-3-carbaldehyde;9-ethylcarbazole-3-carbaldehyde;9-methylcarbazole-3-carbaldehyde;1,4,5,8,9-pentamethylcarbazole-3-carbaldehyde;9-propan-2-ylcarbazole-3-carbaldehyde;9-propylcarbazole-3-carbaldehyde
CID 157211282
5-methyl-1H-indene;2-methyl-3H-indene-5-carboxylic acid;2-methyl-1H-indole;6-methyl-1H-indole;6-methyl-3H-indole;2-methyl-1H-indole-5-carboxylic acid;5-methyl-1H-isoindole;methyl 2-methyl-1H-indole-5-carboxylate
CID 157266905

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enenitrile;2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enoic acid;2,3,4,6-tetramethylaniline;1,5,6,7-tetramethylindole-4-carbaldehyde;2-(1,5,6,7-tetramethylindol-4-yl)acetonitrile;3-(5,6,7-trimethyl-1H-indol-4-yl)-3-(5,6,7-trimethyl-3H-indol-2-yl)butanoic acid;bis(5,6,7-trimethyl-2-[2-(5,6,7-trimethyl-1H-indol-4-yl)pent-4-en-2-yl]-3H-indole)?
The IUPAC name of 2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enenitrile;2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enoic acid;2,3,4,6-tetramethylaniline;1,5,6,7-tetramethylindole-4-carbaldehyde;2-(1,5,6,7-tetramethylindol-4-yl)acetonitrile;3-(5,6,7-trimethyl-1H-indol-4-yl)-3-(5,6,7-trimethyl-3H-indol-2-yl)butanoic acid;bis(5,6,7-trimethyl-2-[2-(5,6,7-trimethyl-1H-indol-4-yl)pent-4-en-2-yl]-3H-indole) (CID 157229470) is 2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enenitrile;2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enoic acid;2,3,4,6-tetramethylaniline;1,5,6,7-tetramethylindole-4-carbaldehyde;2-(1,5,6,7-tetramethylindol-4-yl)acetonitrile;3-(5,6,7-trimethyl-1H-indol-4-yl)-3-(5,6,7-trimethyl-3H-indol-2-yl)butanoic acid;bis(5,6,7-trimethyl-2-[2-(5,6,7-trimethyl-1H-indol-4-yl)pent-4-en-2-yl]-3H-indole).
What is the SMILES notation for 2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enenitrile;2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enoic acid;2,3,4,6-tetramethylaniline;1,5,6,7-tetramethylindole-4-carbaldehyde;2-(1,5,6,7-tetramethylindol-4-yl)acetonitrile;3-(5,6,7-trimethyl-1H-indol-4-yl)-3-(5,6,7-trimethyl-3H-indol-2-yl)butanoic acid;bis(5,6,7-trimethyl-2-[2-(5,6,7-trimethyl-1H-indol-4-yl)pent-4-en-2-yl]-3H-indole)?
The canonical SMILES for 2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enenitrile;2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enoic acid;2,3,4,6-tetramethylaniline;1,5,6,7-tetramethylindole-4-carbaldehyde;2-(1,5,6,7-tetramethylindol-4-yl)acetonitrile;3-(5,6,7-trimethyl-1H-indol-4-yl)-3-(5,6,7-trimethyl-3H-indol-2-yl)butanoic acid;bis(5,6,7-trimethyl-2-[2-(5,6,7-trimethyl-1H-indol-4-yl)pent-4-en-2-yl]-3H-indole) is C=CCC(C)(C#N)c1c(C)c(C)c(C)c2c1ccn2C.C=CCC(C)(C(=O)O)c1c(C)c(C)c(C)c2c1ccn2C.C=CCC(C)(C1=Nc2c(cc(C)c(C)c2C)C1)c1c(C)c(C)c(C)c2[nH]ccc12.C=CCC(C)(C1=Nc2c(cc(C)c(C)c2C)C1)c1c(C)c(C)c(C)c2[nH]ccc12.Cc1c(C)c(C)c2c(ccn2C)c1C=O.Cc1c(C)c(C)c2c(ccn2C)c1CC#N.Cc1cc(C)c(N)c(C)c1C.Cc1cc2c(c(C)c1C)N=C(C(C)(CC(=O)O)c1c(C)c(C)c(C)c3[nH]ccc13)C2.
What is the InChIKey of 2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enenitrile;2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enoic acid;2,3,4,6-tetramethylaniline;1,5,6,7-tetramethylindole-4-carbaldehyde;2-(1,5,6,7-tetramethylindol-4-yl)acetonitrile;3-(5,6,7-trimethyl-1H-indol-4-yl)-3-(5,6,7-trimethyl-3H-indol-2-yl)butanoic acid;bis(5,6,7-trimethyl-2-[2-(5,6,7-trimethyl-1H-indol-4-yl)pent-4-en-2-yl]-3H-indole)?
The InChIKey is ATXYKQCMRYYAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H32N2.C26H30N2O2.C18H22N2.C18H23NO2.C14H16N2.C13H15NO.C10H15N/c2*1-9-11-27(8,23-14-21-13-15(2)16(3)19(6)25(21)29-23)24-18(5)17(4)20(7)26-22(24)10-12-28-26;1-13-10-19-11-21(28-24(19)17(5)14(13)2)26(7,12-22(29)30)23-16(4)15(3)18(6)25-20(23)8-9-27-25;1-7-9-18(5,11-19)16-13(3)12(2)14(4)17-15(16)8-10-20(17)6;1-7-9-18(5,17(20)21)15-12(3)11(2)13(4)16-14(15)8-10-19(16)6;1-9-10(2)12(5-7-15)13-6-8-16(4)14(13)11(9)3;1-8-9(2)12(7-15)11-5-6-14(4)13(11)10(8)3;1-6-5-7(2)10(11)9(4)8(6)3/h2*9-10,12-13,28H,1,11,14H2,2-8H3;8-10,27H,11-12H2,1-7H3,(H,29,30);7-8,10H,1,9H2,2-6H3;7-8,10H,1,9H2,2-6H3,(H,20,21);6,8H,5H2,1-4H3;5-7H,1-4H3;5H,11H2,1-4H3.
What are the key properties of 2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enenitrile;2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enoic acid;2,3,4,6-tetramethylaniline;1,5,6,7-tetramethylindole-4-carbaldehyde;2-(1,5,6,7-tetramethylindol-4-yl)acetonitrile;3-(5,6,7-trimethyl-1H-indol-4-yl)-3-(5,6,7-trimethyl-3H-indol-2-yl)butanoic acid;bis(5,6,7-trimethyl-2-[2-(5,6,7-trimethyl-1H-indol-4-yl)pent-4-en-2-yl]-3H-indole)?
2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enenitrile;2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enoic acid;2,3,4,6-tetramethylaniline;1,5,6,7-tetramethylindole-4-carbaldehyde;2-(1,5,6,7-tetramethylindol-4-yl)acetonitrile;3-(5,6,7-trimethyl-1H-indol-4-yl)-3-(5,6,7-trimethyl-3H-indol-2-yl)butanoic acid;bis(5,6,7-trimethyl-2-[2-(5,6,7-trimethyl-1H-indol-4-yl)pent-4-en-2-yl]-3H-indole) has a molecular weight of 2286.25 g/mol, XLogP of 37.51, 21 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enenitrile;2-methyl-2-(1,5,6,7-tetramethylindol-4-yl)pent-4-enoic acid;2,3,4,6-tetramethylaniline;1,5,6,7-tetramethylindole-4-carbaldehyde;2-(1,5,6,7-tetramethylindol-4-yl)acetonitrile;3-(5,6,7-trimethyl-1H-indol-4-yl)-3-(5,6,7-trimethyl-3H-indol-2-yl)butanoic acid;bis(5,6,7-trimethyl-2-[2-(5,6,7-trimethyl-1H-indol-4-yl)pent-4-en-2-yl]-3H-indole) is sourced from PubChem (CID 157229470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).