lithium;bis(2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid);1-(2-bromo-3-cyclohexyl-1H-indol-6-yl)ethanone;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;hydroxide

C62H69Br4LiN4O8 — CID 158315445

IUPAClithium;bis(2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid);1-(2-bromo-3-cyclohexyl-1H-indol-6-yl)ethanone;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;hydroxide
SMILESCC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1.O=C(O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1.O=C(O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1.[Li+].[OH-]
InChIInChI=1S/C16H18BrNO2.C16H18BrNO.2C15H16BrNO2.Li.H2O/c1-20-16(19)11-7-8-12-13(9-11)18-15(17)14(12)10-5-3-2-4-6-10;1-10(19)12-7-8-13-14(9-12)18-16(17)15(13)11-5-3-2-4-6-11;2*16-14-13(9-4-2-1-3-5-9)11-7-6-10(15(18)19)8-12(11)17-14;;/h7-10,18H,2-6H2,1H3;7-9,11,18H,2-6H2,1H3;2*6-9,17H,1-5H2,(H,18,19);;1H2/q;;;;+1;/p-1
InChIKeyGOEYSONOKWBTMD-UHFFFAOYSA-M
MW1324.81 g/mol
LogP16.13
Rot. Bonds8

About lithium;bis(2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid);1-(2-bromo-3-cyclohexyl-1H-indol-6-yl)ethanone;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;hydroxide

lithium;bis(2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid);1-(2-bromo-3-cyclohexyl-1H-indol-6-yl)ethanone;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;hydroxide (PubChem CID 158315445) has the molecular formula C62H69Br4LiN4O8 and a molecular weight of 1324.81 g/mol. Its IUPAC name is lithium;bis(2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid);1-(2-bromo-3-cyclohexyl-1H-indol-6-yl)ethanone;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;hydroxide.

Molecular Properties

Compound Namelithium;bis(2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid);1-(2-bromo-3-cyclohexyl-1H-indol-6-yl)ethanone;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;hydroxide
PubChem CID158315445
Molecular FormulaC62H69Br4LiN4O8
Molecular Weight1324.81 g/mol
Exact Mass1320.20
IUPAC Namelithium;bis(2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid);1-(2-bromo-3-cyclohexyl-1H-indol-6-yl)ethanone;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;hydroxide
SMILESCC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1.O=C(O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1.O=C(O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1.[Li+].[OH-]
InChIInChI=1S/C16H18BrNO2.C16H18BrNO.2C15H16BrNO2.Li.H2O/c1-20-16(19)11-7-8-12-13(9-11)18-15(17)14(12)10-5-3-2-4-6-10;1-10(19)12-7-8-13-14(9-12)18-16(17)15(13)11-5-3-2-4-6-11;2*16-14-13(9-4-2-1-3-5-9)11-7-6-10(15(18)19)8-12(11)17-14;;/h7-10,18H,2-6H2,1H3;7-9,11,18H,2-6H2,1H3;2*6-9,17H,1-5H2,(H,18,19);;1H2/q;;;;+1;/p-1
InChIKeyGOEYSONOKWBTMD-UHFFFAOYSA-M
XLogP16.13
TPSA211.13 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001324.81
LogP ≤ 516.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze lithium;bis(2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid);1-(2-bromo-3-cyclohexyl-1H-indol-6-yl)ethanone;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;hydroxide with MolForge

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Related Compounds

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CID 136464737
3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-one;3-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)-1H-indole-6-carboxylic acid;1H-indole-6-carboxylic acid;methane;methyl 2-bromo-3-(4,4-difluorocyclohexyl)-1-methylindole-6-carboxylate;methyl 3-(4,4-difluorocyclohexyl)-1-methylindole-6-carboxylate;methyl 3-(3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl)-1-methylindole-6-carboxylate;methyl 1-methyl-3-(4-oxocyclohexyl)indole-6-carboxylate;molecular bromine;molecular hydrogen
CID 161467040
methyl 3-cyclohexyl-2-(dihydroxy-lambda3-bromanyl)-1H-indole-6-carboxylate
CID 59664817
methyl 3-cyclohexyl-2-(2-hydroxy-3-prop-2-enylphenyl)-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-hydroxy-3-propylphenyl)-1H-indole-6-carboxylate
CID 68743339
methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-[2-(hydroxymethyl)phenyl]-1H-indole-6-carboxylate
CID 69094368
3-cyclohexyl-2-phenyl-1H-indole-6-carboxylic acid;methyl 3-cyclohexyl-2-phenyl-1H-indole-6-carboxylate
CID 69350446
methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;methyl 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylate
CID 69387075
2-(2-bromo-3-cyclohexyl-6-methoxycarbonylindol-1-yl)acetic acid;methyl 2-bromo-3-cyclohexyl-1-ethylindole-6-carboxylate;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate
CID 90834064
Methyl 4-[20-(4-methoxycarbonylphenyl)-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),10,12(39),13(18),19,21,27,29,31(36)-undecaen-2-yl]benzoate
CID 136391779
4-[2,12,17-Tris(4-carboxyphenyl)-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3(28),4,6,8,10,12,14,16(26),17,19,21,23-tridecaen-7-yl]benzoic acid
CID 136464736
4-[10,15,20-Tris(4-methoxycarbonylphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
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Methyl 4-[2,3,7,8,12,13,17,18-octabromo-10,15,20-tris(4-methoxycarbonylphenyl)-21,23-dihydroporphyrin-5-yl]benzoate
CID 136805637

Frequently Asked Questions

What is the IUPAC name of lithium;bis(2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid);1-(2-bromo-3-cyclohexyl-1H-indol-6-yl)ethanone;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;hydroxide?
The IUPAC name of lithium;bis(2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid);1-(2-bromo-3-cyclohexyl-1H-indol-6-yl)ethanone;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;hydroxide (CID 158315445) is lithium;bis(2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid);1-(2-bromo-3-cyclohexyl-1H-indol-6-yl)ethanone;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;hydroxide.
What is the SMILES notation for lithium;bis(2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid);1-(2-bromo-3-cyclohexyl-1H-indol-6-yl)ethanone;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;hydroxide?
The canonical SMILES for lithium;bis(2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid);1-(2-bromo-3-cyclohexyl-1H-indol-6-yl)ethanone;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;hydroxide is CC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1.COC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1.O=C(O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1.O=C(O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1.[Li+].[OH-].
What is the InChIKey of lithium;bis(2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid);1-(2-bromo-3-cyclohexyl-1H-indol-6-yl)ethanone;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;hydroxide?
The InChIKey is GOEYSONOKWBTMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H18BrNO2.C16H18BrNO.2C15H16BrNO2.Li.H2O/c1-20-16(19)11-7-8-12-13(9-11)18-15(17)14(12)10-5-3-2-4-6-10;1-10(19)12-7-8-13-14(9-12)18-16(17)15(13)11-5-3-2-4-6-11;2*16-14-13(9-4-2-1-3-5-9)11-7-6-10(15(18)19)8-12(11)17-14;;/h7-10,18H,2-6H2,1H3;7-9,11,18H,2-6H2,1H3;2*6-9,17H,1-5H2,(H,18,19);;1H2/q;;;;+1;/p-1.
What are the key properties of lithium;bis(2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid);1-(2-bromo-3-cyclohexyl-1H-indol-6-yl)ethanone;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;hydroxide?
lithium;bis(2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid);1-(2-bromo-3-cyclohexyl-1H-indol-6-yl)ethanone;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;hydroxide has a molecular weight of 1324.81 g/mol, XLogP of 16.13, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis(2-bromo-3-cyclohexyl-1H-indole-6-carboxylic acid);1-(2-bromo-3-cyclohexyl-1H-indol-6-yl)ethanone;methyl 2-bromo-3-cyclohexyl-1H-indole-6-carboxylate;hydroxide is sourced from PubChem (CID 158315445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).