2-(1H-indol-3-yl)acetic acid;bis(3-(4-methoxy-2-methylbut-3-en-2-yl)-1-methylindole);bis(methyl 2-(1H-indol-3-yl)acetate);3-methyl-3-(1-methylindol-3-yl)butanal;bis(2-methyl-2-(1-methylindol-3-yl)propanal);bis(methyl 2-(1-methylindol-3-yl)propanoate);bis(2-methyl-2-(1-methylindol-3-yl)propan-1-ol);bis(methyl 2-methyl-2-(1-methylindol-3-yl)propanoate);phenyl(propan-2-ylidene)phosphane

C191H225N14O21P — CID 159625407

IUPAC2-(1H-indol-3-yl)acetic acid;bis(3-(4-methoxy-2-methylbut-3-en-2-yl)-1-methylindole);bis(methyl 2-(1H-indol-3-yl)acetate);3-methyl-3-(1-methylindol-3-yl)butanal;bis(2-methyl-2-(1-methylindol-3-yl)propanal);bis(methyl 2-(1-methylindol-3-yl)propanoate);bis(2-methyl-2-(1-methylindol-3-yl)propan-1-ol);bis(methyl 2-methyl-2-(1-methylindol-3-yl)propanoate);phenyl(propan-2-ylidene)phosphane
SMILESCC(C)=Pc1ccccc1.COC(=O)C(C)(C)c1cn(C)c2ccccc12.COC(=O)C(C)(C)c1cn(C)c2ccccc12.COC(=O)C(C)c1cn(C)c2ccccc12.COC(=O)C(C)c1cn(C)c2ccccc12.COC(=O)Cc1c[nH]c2ccccc12.COC(=O)Cc1c[nH]c2ccccc12.COC=CC(C)(C)c1cn(C)c2ccccc12.COC=CC(C)(C)c1cn(C)c2ccccc12.Cn1cc(C(C)(C)C=O)c2ccccc21.Cn1cc(C(C)(C)C=O)c2ccccc21.Cn1cc(C(C)(C)CC=O)c2ccccc21.Cn1cc(C(C)(C)CO)c2ccccc21.Cn1cc(C(C)(C)CO)c2ccccc21.O=C(O)Cc1c[nH]c2ccccc12
InChIInChI=1S/2C15H19NO.2C14H17NO2.C14H17NO.2C13H15NO2.2C13H17NO.2C13H15NO.2C11H11NO2.C10H9NO2.C9H11P/c2*1-15(2,9-10-17-4)13-11-16(3)14-8-6-5-7-12(13)14;2*1-14(2,13(16)17-4)11-9-15(3)12-8-6-5-7-10(11)12;1-14(2,8-9-16)12-10-15(3)13-7-5-4-6-11(12)13;2*1-9(13(15)16-3)11-8-14(2)12-7-5-4-6-10(11)12;4*1-13(2,9-15)11-8-14(3)12-7-5-4-6-10(11)12;2*1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10;12-10(13)5-7-6-11-9-4-2-1-3-8(7)9;1-8(2)10-9-6-4-3-5-7-9/h2*5-11H,1-4H3;2*5-9H,1-4H3;4-7,9-10H,8H2,1-3H3;2*4-9H,1-3H3;2*4-8,15H,9H2,1-3H3;2*4-9H,1-3H3;2*2-5,7,12H,6H2,1H3;1-4,6,11H,5H2,(H,12,13);3-7H,1-2H3
InChIKeyMOKPDBDIQIRWMD-UHFFFAOYSA-N
MW3083.95 g/mol
LogP38.68
Rot. Bonds32

About 2-(1H-indol-3-yl)acetic acid;bis(3-(4-methoxy-2-methylbut-3-en-2-yl)-1-methylindole);bis(methyl 2-(1H-indol-3-yl)acetate);3-methyl-3-(1-methylindol-3-yl)butanal;bis(2-methyl-2-(1-methylindol-3-yl)propanal);bis(methyl 2-(1-methylindol-3-yl)propanoate);bis(2-methyl-2-(1-methylindol-3-yl)propan-1-ol);bis(methyl 2-methyl-2-(1-methylindol-3-yl)propanoate);phenyl(propan-2-ylidene)phosphane

2-(1H-indol-3-yl)acetic acid;bis(3-(4-methoxy-2-methylbut-3-en-2-yl)-1-methylindole);bis(methyl 2-(1H-indol-3-yl)acetate);3-methyl-3-(1-methylindol-3-yl)butanal;bis(2-methyl-2-(1-methylindol-3-yl)propanal);bis(methyl 2-(1-methylindol-3-yl)propanoate);bis(2-methyl-2-(1-methylindol-3-yl)propan-1-ol);bis(methyl 2-methyl-2-(1-methylindol-3-yl)propanoate);phenyl(propan-2-ylidene)phosphane (PubChem CID 159625407) has the molecular formula C191H225N14O21P and a molecular weight of 3083.95 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)acetic acid;bis(3-(4-methoxy-2-methylbut-3-en-2-yl)-1-methylindole);bis(methyl 2-(1H-indol-3-yl)acetate);3-methyl-3-(1-methylindol-3-yl)butanal;bis(2-methyl-2-(1-methylindol-3-yl)propanal);bis(methyl 2-(1-methylindol-3-yl)propanoate);bis(2-methyl-2-(1-methylindol-3-yl)propan-1-ol);bis(methyl 2-methyl-2-(1-methylindol-3-yl)propanoate);phenyl(propan-2-ylidene)phosphane.

Molecular Properties

Compound Name2-(1H-indol-3-yl)acetic acid;bis(3-(4-methoxy-2-methylbut-3-en-2-yl)-1-methylindole);bis(methyl 2-(1H-indol-3-yl)acetate);3-methyl-3-(1-methylindol-3-yl)butanal;bis(2-methyl-2-(1-methylindol-3-yl)propanal);bis(methyl 2-(1-methylindol-3-yl)propanoate);bis(2-methyl-2-(1-methylindol-3-yl)propan-1-ol);bis(methyl 2-methyl-2-(1-methylindol-3-yl)propanoate);phenyl(propan-2-ylidene)phosphane
PubChem CID159625407
Molecular FormulaC191H225N14O21P
Molecular Weight3083.95 g/mol
Exact Mass3081.67
IUPAC Name2-(1H-indol-3-yl)acetic acid;bis(3-(4-methoxy-2-methylbut-3-en-2-yl)-1-methylindole);bis(methyl 2-(1H-indol-3-yl)acetate);3-methyl-3-(1-methylindol-3-yl)butanal;bis(2-methyl-2-(1-methylindol-3-yl)propanal);bis(methyl 2-(1-methylindol-3-yl)propanoate);bis(2-methyl-2-(1-methylindol-3-yl)propan-1-ol);bis(methyl 2-methyl-2-(1-methylindol-3-yl)propanoate);phenyl(propan-2-ylidene)phosphane
SMILESCC(C)=Pc1ccccc1.COC(=O)C(C)(C)c1cn(C)c2ccccc12.COC(=O)C(C)(C)c1cn(C)c2ccccc12.COC(=O)C(C)c1cn(C)c2ccccc12.COC(=O)C(C)c1cn(C)c2ccccc12.COC(=O)Cc1c[nH]c2ccccc12.COC(=O)Cc1c[nH]c2ccccc12.COC=CC(C)(C)c1cn(C)c2ccccc12.COC=CC(C)(C)c1cn(C)c2ccccc12.Cn1cc(C(C)(C)C=O)c2ccccc21.Cn1cc(C(C)(C)C=O)c2ccccc21.Cn1cc(C(C)(C)CC=O)c2ccccc21.Cn1cc(C(C)(C)CO)c2ccccc21.Cn1cc(C(C)(C)CO)c2ccccc21.O=C(O)Cc1c[nH]c2ccccc12
InChIInChI=1S/2C15H19NO.2C14H17NO2.C14H17NO.2C13H15NO2.2C13H17NO.2C13H15NO.2C11H11NO2.C10H9NO2.C9H11P/c2*1-15(2,9-10-17-4)13-11-16(3)14-8-6-5-7-12(13)14;2*1-14(2,13(16)17-4)11-9-15(3)12-8-6-5-7-10(11)12;1-14(2,8-9-16)12-10-15(3)13-7-5-4-6-11(12)13;2*1-9(13(15)16-3)11-8-14(2)12-7-5-4-6-10(11)12;4*1-13(2,9-15)11-8-14(3)12-7-5-4-6-10(11)12;2*1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10;12-10(13)5-7-6-11-9-4-2-1-3-8(7)9;1-8(2)10-9-6-4-3-5-7-9/h2*5-11H,1-4H3;2*5-9H,1-4H3;4-7,9-10H,8H2,1-3H3;2*4-9H,1-3H3;2*4-8,15H,9H2,1-3H3;2*4-9H,1-3H3;2*2-5,7,12H,6H2,1H3;1-4,6,11H,5H2,(H,12,13);3-7H,1-2H3
InChIKeyMOKPDBDIQIRWMD-UHFFFAOYSA-N
XLogP38.68
TPSA406.83 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds32
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003083.95
LogP ≤ 538.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-(1H-indol-3-yl)acetic acid;bis(3-(4-methoxy-2-methylbut-3-en-2-yl)-1-methylindole);bis(methyl 2-(1H-indol-3-yl)acetate);3-methyl-3-(1-methylindol-3-yl)butanal;bis(2-methyl-2-(1-methylindol-3-yl)propanal);bis(methyl 2-(1-methylindol-3-yl)propanoate);bis(2-methyl-2-(1-methylindol-3-yl)propan-1-ol);bis(methyl 2-methyl-2-(1-methylindol-3-yl)propanoate);phenyl(propan-2-ylidene)phosphane with MolForge

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Related Compounds

ethyl 2,2,2-tris(1H-indol-3-yl)acetate
CID 400277
bis(2-(1H-indol-3-yl)-3,6-dimethoxy-5-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione);hydrate
CID 168304778
CID 168327228
CID 168327228
tetrakis((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid);1,1-dicyclopentylcyclopentane
CID 20584303
[(2R,3S)-2,3,4-tris[[2-(1H-indol-3-yl)acetyl]oxy]butyl] 2-(1H-indol-3-yl)acetate
CID 142492773
2,3,4-tris[[2-(1H-indol-3-yl)acetyl]oxy]butyl 2-(1H-indol-3-yl)acetate
CID 146458063
[(2R)-2-[(2R,3R,4S)-3,4-bis[[2-(1H-indol-3-yl)acetyl]oxy]oxolan-2-yl]-2-[2-(1H-indol-3-yl)acetyl]oxyethyl] 2-(1H-indol-3-yl)acetate
CID 146458117
[2-[(2R,3R,4S)-3,4-bis[[2-(1H-indol-3-yl)acetyl]oxy]oxolan-2-yl]-2-[2-(1H-indol-3-yl)acetyl]oxyethyl] 2-(1H-indol-3-yl)acetate
CID 146458118
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)acetyl chloride;bis(2-(1H-indol-3-yl)-N,N-dimethylacetamide);1-(1H-indol-3-yl)-N,N,2-trimethylpropan-2-amine
CID 157075907
2-[2-ethyl-5-(hydroxymethyl)-1-methylindol-3-yl]acetic acid;2-[5-(hydroxymethyl)-1,2-dimethylindol-3-yl]acetic acid;4-[5-(hydroxymethyl)-1,2-dimethylindol-3-yl]butanoic acid;5-[5-(hydroxymethyl)-1,2-dimethylindol-3-yl]pentanoic acid;3-[5-(hydroxymethyl)-1,2-dimethylindol-3-yl]propanoic acid;(E)-3-[5-(hydroxymethyl)-1,2-dimethylindol-3-yl]prop-2-enoic acid;2-[5-(hydroxymethyl)-1-methylindol-3-yl]acetic acid
CID 157090068
4-(1-acetylpiperidin-4-yl)-2-(1H-indol-3-yl)butanoic acid;tert-butyl 4-(2-hydroxyethyl)piperidine-1-carboxylate;tert-butyl 4-(2-iodoethyl)piperidine-1-carboxylate;methyl 3-[4-(1-acetylpiperidin-4-yl)-1-methoxy-1-oxobutan-2-yl]indole-1-carboxylate;methyl 3-[1-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1-oxobutan-2-yl]indole-1-carboxylate;methyl 3-(2-methoxy-2-oxoethyl)indole-1-carboxylate;2-piperidin-4-ylethanol
CID 157096031
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

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)acetic acid;bis(3-(4-methoxy-2-methylbut-3-en-2-yl)-1-methylindole);bis(methyl 2-(1H-indol-3-yl)acetate);3-methyl-3-(1-methylindol-3-yl)butanal;bis(2-methyl-2-(1-methylindol-3-yl)propanal);bis(methyl 2-(1-methylindol-3-yl)propanoate);bis(2-methyl-2-(1-methylindol-3-yl)propan-1-ol);bis(methyl 2-methyl-2-(1-methylindol-3-yl)propanoate);phenyl(propan-2-ylidene)phosphane?
The IUPAC name of 2-(1H-indol-3-yl)acetic acid;bis(3-(4-methoxy-2-methylbut-3-en-2-yl)-1-methylindole);bis(methyl 2-(1H-indol-3-yl)acetate);3-methyl-3-(1-methylindol-3-yl)butanal;bis(2-methyl-2-(1-methylindol-3-yl)propanal);bis(methyl 2-(1-methylindol-3-yl)propanoate);bis(2-methyl-2-(1-methylindol-3-yl)propan-1-ol);bis(methyl 2-methyl-2-(1-methylindol-3-yl)propanoate);phenyl(propan-2-ylidene)phosphane (CID 159625407) is 2-(1H-indol-3-yl)acetic acid;bis(3-(4-methoxy-2-methylbut-3-en-2-yl)-1-methylindole);bis(methyl 2-(1H-indol-3-yl)acetate);3-methyl-3-(1-methylindol-3-yl)butanal;bis(2-methyl-2-(1-methylindol-3-yl)propanal);bis(methyl 2-(1-methylindol-3-yl)propanoate);bis(2-methyl-2-(1-methylindol-3-yl)propan-1-ol);bis(methyl 2-methyl-2-(1-methylindol-3-yl)propanoate);phenyl(propan-2-ylidene)phosphane.
What is the SMILES notation for 2-(1H-indol-3-yl)acetic acid;bis(3-(4-methoxy-2-methylbut-3-en-2-yl)-1-methylindole);bis(methyl 2-(1H-indol-3-yl)acetate);3-methyl-3-(1-methylindol-3-yl)butanal;bis(2-methyl-2-(1-methylindol-3-yl)propanal);bis(methyl 2-(1-methylindol-3-yl)propanoate);bis(2-methyl-2-(1-methylindol-3-yl)propan-1-ol);bis(methyl 2-methyl-2-(1-methylindol-3-yl)propanoate);phenyl(propan-2-ylidene)phosphane?
The canonical SMILES for 2-(1H-indol-3-yl)acetic acid;bis(3-(4-methoxy-2-methylbut-3-en-2-yl)-1-methylindole);bis(methyl 2-(1H-indol-3-yl)acetate);3-methyl-3-(1-methylindol-3-yl)butanal;bis(2-methyl-2-(1-methylindol-3-yl)propanal);bis(methyl 2-(1-methylindol-3-yl)propanoate);bis(2-methyl-2-(1-methylindol-3-yl)propan-1-ol);bis(methyl 2-methyl-2-(1-methylindol-3-yl)propanoate);phenyl(propan-2-ylidene)phosphane is CC(C)=Pc1ccccc1.COC(=O)C(C)(C)c1cn(C)c2ccccc12.COC(=O)C(C)(C)c1cn(C)c2ccccc12.COC(=O)C(C)c1cn(C)c2ccccc12.COC(=O)C(C)c1cn(C)c2ccccc12.COC(=O)Cc1c[nH]c2ccccc12.COC(=O)Cc1c[nH]c2ccccc12.COC=CC(C)(C)c1cn(C)c2ccccc12.COC=CC(C)(C)c1cn(C)c2ccccc12.Cn1cc(C(C)(C)C=O)c2ccccc21.Cn1cc(C(C)(C)C=O)c2ccccc21.Cn1cc(C(C)(C)CC=O)c2ccccc21.Cn1cc(C(C)(C)CO)c2ccccc21.Cn1cc(C(C)(C)CO)c2ccccc21.O=C(O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)acetic acid;bis(3-(4-methoxy-2-methylbut-3-en-2-yl)-1-methylindole);bis(methyl 2-(1H-indol-3-yl)acetate);3-methyl-3-(1-methylindol-3-yl)butanal;bis(2-methyl-2-(1-methylindol-3-yl)propanal);bis(methyl 2-(1-methylindol-3-yl)propanoate);bis(2-methyl-2-(1-methylindol-3-yl)propan-1-ol);bis(methyl 2-methyl-2-(1-methylindol-3-yl)propanoate);phenyl(propan-2-ylidene)phosphane?
The InChIKey is MOKPDBDIQIRWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H19NO.2C14H17NO2.C14H17NO.2C13H15NO2.2C13H17NO.2C13H15NO.2C11H11NO2.C10H9NO2.C9H11P/c2*1-15(2,9-10-17-4)13-11-16(3)14-8-6-5-7-12(13)14;2*1-14(2,13(16)17-4)11-9-15(3)12-8-6-5-7-10(11)12;1-14(2,8-9-16)12-10-15(3)13-7-5-4-6-11(12)13;2*1-9(13(15)16-3)11-8-14(2)12-7-5-4-6-10(11)12;4*1-13(2,9-15)11-8-14(3)12-7-5-4-6-10(11)12;2*1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10;12-10(13)5-7-6-11-9-4-2-1-3-8(7)9;1-8(2)10-9-6-4-3-5-7-9/h2*5-11H,1-4H3;2*5-9H,1-4H3;4-7,9-10H,8H2,1-3H3;2*4-9H,1-3H3;2*4-8,15H,9H2,1-3H3;2*4-9H,1-3H3;2*2-5,7,12H,6H2,1H3;1-4,6,11H,5H2,(H,12,13);3-7H,1-2H3.
What are the key properties of 2-(1H-indol-3-yl)acetic acid;bis(3-(4-methoxy-2-methylbut-3-en-2-yl)-1-methylindole);bis(methyl 2-(1H-indol-3-yl)acetate);3-methyl-3-(1-methylindol-3-yl)butanal;bis(2-methyl-2-(1-methylindol-3-yl)propanal);bis(methyl 2-(1-methylindol-3-yl)propanoate);bis(2-methyl-2-(1-methylindol-3-yl)propan-1-ol);bis(methyl 2-methyl-2-(1-methylindol-3-yl)propanoate);phenyl(propan-2-ylidene)phosphane?
2-(1H-indol-3-yl)acetic acid;bis(3-(4-methoxy-2-methylbut-3-en-2-yl)-1-methylindole);bis(methyl 2-(1H-indol-3-yl)acetate);3-methyl-3-(1-methylindol-3-yl)butanal;bis(2-methyl-2-(1-methylindol-3-yl)propanal);bis(methyl 2-(1-methylindol-3-yl)propanoate);bis(2-methyl-2-(1-methylindol-3-yl)propan-1-ol);bis(methyl 2-methyl-2-(1-methylindol-3-yl)propanoate);phenyl(propan-2-ylidene)phosphane has a molecular weight of 3083.95 g/mol, XLogP of 38.68, 32 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)acetic acid;bis(3-(4-methoxy-2-methylbut-3-en-2-yl)-1-methylindole);bis(methyl 2-(1H-indol-3-yl)acetate);3-methyl-3-(1-methylindol-3-yl)butanal;bis(2-methyl-2-(1-methylindol-3-yl)propanal);bis(methyl 2-(1-methylindol-3-yl)propanoate);bis(2-methyl-2-(1-methylindol-3-yl)propan-1-ol);bis(methyl 2-methyl-2-(1-methylindol-3-yl)propanoate);phenyl(propan-2-ylidene)phosphane is sourced from PubChem (CID 159625407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).