3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;bis(1H-indole-6-carboxylic acid);methane;tris(methyl 3-cyclohexyl-1H-indole-6-carboxylate);methyl 1H-indole-6-carboxylate;triethylsilane

C99H119N7O14Si — CID 160655110

IUPAC3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;bis(1H-indole-6-carboxylic acid);methane;tris(methyl 3-cyclohexyl-1H-indole-6-carboxylate);methyl 1H-indole-6-carboxylate;triethylsilane
SMILESC.C.CC[SiH](CC)CC.COC(=O)c1ccc2c(C3CCCCC3)c[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c[nH]c2c1.COC(=O)c1ccc2cc[nH]c2c1.O=C(O)c1ccc2c(C3=CCCCC3)c[nH]c2c1.O=C(O)c1ccc2cc[nH]c2c1.O=C(O)c1ccc2cc[nH]c2c1
InChIInChI=1S/3C16H19NO2.C15H15NO2.C10H9NO2.2C9H7NO2.C6H16Si.2CH4/c3*1-19-16(18)12-7-8-13-14(10-17-15(13)9-12)11-5-3-2-4-6-11;17-15(18)11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10;1-13-10(12)8-3-2-7-4-5-11-9(7)6-8;2*11-9(12)7-2-1-6-3-4-10-8(6)5-7;1-4-7(5-2)6-3;;/h3*7-11,17H,2-6H2,1H3;4,6-9,16H,1-3,5H2,(H,17,18);2-6,11H,1H3;2*1-5,10H,(H,11,12);7H,4-6H2,1-3H3;2*1H4
InChIKeyRKYBQUBBFRHYOF-UHFFFAOYSA-N
MW1659.16 g/mol
LogP25.06
Rot. Bonds14

About 3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;bis(1H-indole-6-carboxylic acid);methane;tris(methyl 3-cyclohexyl-1H-indole-6-carboxylate);methyl 1H-indole-6-carboxylate;triethylsilane

3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;bis(1H-indole-6-carboxylic acid);methane;tris(methyl 3-cyclohexyl-1H-indole-6-carboxylate);methyl 1H-indole-6-carboxylate;triethylsilane (PubChem CID 160655110) has the molecular formula C99H119N7O14Si and a molecular weight of 1659.16 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;bis(1H-indole-6-carboxylic acid);methane;tris(methyl 3-cyclohexyl-1H-indole-6-carboxylate);methyl 1H-indole-6-carboxylate;triethylsilane.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;bis(1H-indole-6-carboxylic acid);methane;tris(methyl 3-cyclohexyl-1H-indole-6-carboxylate);methyl 1H-indole-6-carboxylate;triethylsilane
PubChem CID160655110
Molecular FormulaC99H119N7O14Si
Molecular Weight1659.16 g/mol
Exact Mass1657.86
IUPAC Name3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;bis(1H-indole-6-carboxylic acid);methane;tris(methyl 3-cyclohexyl-1H-indole-6-carboxylate);methyl 1H-indole-6-carboxylate;triethylsilane
SMILESC.C.CC[SiH](CC)CC.COC(=O)c1ccc2c(C3CCCCC3)c[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c[nH]c2c1.COC(=O)c1ccc2cc[nH]c2c1.O=C(O)c1ccc2c(C3=CCCCC3)c[nH]c2c1.O=C(O)c1ccc2cc[nH]c2c1.O=C(O)c1ccc2cc[nH]c2c1
InChIInChI=1S/3C16H19NO2.C15H15NO2.C10H9NO2.2C9H7NO2.C6H16Si.2CH4/c3*1-19-16(18)12-7-8-13-14(10-17-15(13)9-12)11-5-3-2-4-6-11;17-15(18)11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10;1-13-10(12)8-3-2-7-4-5-11-9(7)6-8;2*11-9(12)7-2-1-6-3-4-10-8(6)5-7;1-4-7(5-2)6-3;;/h3*7-11,17H,2-6H2,1H3;4,6-9,16H,1-3,5H2,(H,17,18);2-6,11H,1H3;2*1-5,10H,(H,11,12);7H,4-6H2,1-3H3;2*1H4
InChIKeyRKYBQUBBFRHYOF-UHFFFAOYSA-N
XLogP25.06
TPSA327.63 Ų
H-Bond Donors10
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001659.16
LogP ≤ 525.06
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;bis(1H-indole-6-carboxylic acid);methane;tris(methyl 3-cyclohexyl-1H-indole-6-carboxylate);methyl 1H-indole-6-carboxylate;triethylsilane with MolForge

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Related Compounds

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CID 15637614
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CID 90682161
3-[(6-carboxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indole-6-carboxylic acid
CID 139526006
N-methyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-methyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-methyl-3-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propanamide;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-N-(2,2,2-trifluoroethyl)-1H-indole-6-carboxamide;3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-N-(2,2,2-trifluoroethyl)-1H-indole-6-carboxamide
CID 157776520
3-(3-Fluorophenyl)-1-methylindole-6-carboxylic acid;3-(4-fluorophenyl)-1-methylindole-6-carboxylic acid;1-methyl-3-phenylindole-6-carboxylic acid;1-methyl-3-[4-(trifluoromethyl)phenyl]indole-6-carboxylic acid
CID 158063960
methyl 4-[bis(5-amino-1H-indol-3-yl)methyl]benzoate
CID 15389265
methyl 5-amino-3-[1,2,2-tris(5-amino-1H-indol-3-yl)-1-phenylethyl]-1H-indole-4-carboxylate
CID 54102949
methyl 4-[3,4-bis[2-(1H-indol-3-yl)ethyl]-1-(6-methoxycarbonyl-1H-indol-4-yl)piperazin-1-ium-1-yl]-1H-indole-6-carboxylate
CID 54155462
3-Cyclohexyl-1H,1'H-[2,7']biindolyl-6-carboxylic acid methyl ester
CID 57811938
1-but-3-enyl-3-cyclohexyl-7-ethenyl-4-methyl-2-phenylindole-6-carboxylic acid;1H-indole
CID 67375811
1-cyclohex-3-en-1-ylindole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid
CID 68560913
3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;3-cyclohexyl-1H-indole-6-carboxylic acid
CID 68560921

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;bis(1H-indole-6-carboxylic acid);methane;tris(methyl 3-cyclohexyl-1H-indole-6-carboxylate);methyl 1H-indole-6-carboxylate;triethylsilane?
The IUPAC name of 3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;bis(1H-indole-6-carboxylic acid);methane;tris(methyl 3-cyclohexyl-1H-indole-6-carboxylate);methyl 1H-indole-6-carboxylate;triethylsilane (CID 160655110) is 3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;bis(1H-indole-6-carboxylic acid);methane;tris(methyl 3-cyclohexyl-1H-indole-6-carboxylate);methyl 1H-indole-6-carboxylate;triethylsilane.
What is the SMILES notation for 3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;bis(1H-indole-6-carboxylic acid);methane;tris(methyl 3-cyclohexyl-1H-indole-6-carboxylate);methyl 1H-indole-6-carboxylate;triethylsilane?
The canonical SMILES for 3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;bis(1H-indole-6-carboxylic acid);methane;tris(methyl 3-cyclohexyl-1H-indole-6-carboxylate);methyl 1H-indole-6-carboxylate;triethylsilane is C.C.CC[SiH](CC)CC.COC(=O)c1ccc2c(C3CCCCC3)c[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c[nH]c2c1.COC(=O)c1ccc2cc[nH]c2c1.O=C(O)c1ccc2c(C3=CCCCC3)c[nH]c2c1.O=C(O)c1ccc2cc[nH]c2c1.O=C(O)c1ccc2cc[nH]c2c1.
What is the InChIKey of 3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;bis(1H-indole-6-carboxylic acid);methane;tris(methyl 3-cyclohexyl-1H-indole-6-carboxylate);methyl 1H-indole-6-carboxylate;triethylsilane?
The InChIKey is RKYBQUBBFRHYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H19NO2.C15H15NO2.C10H9NO2.2C9H7NO2.C6H16Si.2CH4/c3*1-19-16(18)12-7-8-13-14(10-17-15(13)9-12)11-5-3-2-4-6-11;17-15(18)11-6-7-12-13(9-16-14(12)8-11)10-4-2-1-3-5-10;1-13-10(12)8-3-2-7-4-5-11-9(7)6-8;2*11-9(12)7-2-1-6-3-4-10-8(6)5-7;1-4-7(5-2)6-3;;/h3*7-11,17H,2-6H2,1H3;4,6-9,16H,1-3,5H2,(H,17,18);2-6,11H,1H3;2*1-5,10H,(H,11,12);7H,4-6H2,1-3H3;2*1H4.
What are the key properties of 3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;bis(1H-indole-6-carboxylic acid);methane;tris(methyl 3-cyclohexyl-1H-indole-6-carboxylate);methyl 1H-indole-6-carboxylate;triethylsilane?
3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;bis(1H-indole-6-carboxylic acid);methane;tris(methyl 3-cyclohexyl-1H-indole-6-carboxylate);methyl 1H-indole-6-carboxylate;triethylsilane has a molecular weight of 1659.16 g/mol, XLogP of 25.06, 14 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-1H-indole-6-carboxylic acid;bis(1H-indole-6-carboxylic acid);methane;tris(methyl 3-cyclohexyl-1H-indole-6-carboxylate);methyl 1H-indole-6-carboxylate;triethylsilane is sourced from PubChem (CID 160655110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).