cesium;actinium;3-bromocyclohexene;1-cyclohex-2-en-1-yl-5-methyl-2-phenylindole;1-cyclohexyl-2-phenylindole-5-carboxylic acid;(2,4-dimethylphenyl)azanide;methane;4-methylaniline;5-methyl-2-phenyl-1H-indole;molecular hydrogen;prop-1-yne;hydroxide;hydrate

C82H96AcBrCsN5O4- — CID 159511370

IUPACcesium;actinium;3-bromocyclohexene;1-cyclohex-2-en-1-yl-5-methyl-2-phenylindole;1-cyclohexyl-2-phenylindole-5-carboxylic acid;(2,4-dimethylphenyl)azanide;methane;4-methylaniline;5-methyl-2-phenyl-1H-indole;molecular hydrogen;prop-1-yne;hydroxide;hydrate
SMILESBrC1C=CCCC1.C.C#CC.Cc1ccc(N)cc1.Cc1ccc([NH-])c(C)c1.Cc1ccc2[nH]c(-c3ccccc3)cc2c1.Cc1ccc2c(c1)cc(-c1ccccc1)n2C1C=CCCC1.O.O=C(O)c1ccc2c(c1)cc(-c1ccccc1)n2C1CCCCC1.[Ac].[Cs+].[H][H].[OH-]
InChIInChI=1S/C21H21NO2.C21H21N.C15H13N.C8H10N.C7H9N.C6H9Br.C3H4.CH4.Ac.Cs.2H2O.H2/c23-21(24)16-11-12-19-17(13-16)14-20(15-7-3-1-4-8-15)22(19)18-9-5-2-6-10-18;1-16-12-13-20-18(14-16)15-21(17-8-4-2-5-9-17)22(20)19-10-6-3-7-11-19;1-11-7-8-14-13(9-11)10-15(16-14)12-5-3-2-4-6-12;1-6-3-4-8(9)7(2)5-6;1-6-2-4-7(8)5-3-6;7-6-4-2-1-3-5-6;1-3-2;;;;;;/h1,3-4,7-8,11-14,18H,2,5-6,9-10H2,(H,23,24);2,4-6,8-10,12-15,19H,3,7,11H2,1H3;2-10,16H,1H3;3-5,9H,1-2H3;2-5H,8H2,1H3;2,4,6H,1,3,5H2;1H,2H3;1H4;;;2*1H2;1H/q;;;-1;;;;;;+1;;;/p-1
InChIKeyZTNADMUNNUSHNB-UHFFFAOYSA-M
MW1655.51 g/mol
LogP20.13
Rot. Bonds6

About cesium;actinium;3-bromocyclohexene;1-cyclohex-2-en-1-yl-5-methyl-2-phenylindole;1-cyclohexyl-2-phenylindole-5-carboxylic acid;(2,4-dimethylphenyl)azanide;methane;4-methylaniline;5-methyl-2-phenyl-1H-indole;molecular hydrogen;prop-1-yne;hydroxide;hydrate

cesium;actinium;3-bromocyclohexene;1-cyclohex-2-en-1-yl-5-methyl-2-phenylindole;1-cyclohexyl-2-phenylindole-5-carboxylic acid;(2,4-dimethylphenyl)azanide;methane;4-methylaniline;5-methyl-2-phenyl-1H-indole;molecular hydrogen;prop-1-yne;hydroxide;hydrate (PubChem CID 159511370) has the molecular formula C82H96AcBrCsN5O4- and a molecular weight of 1655.51 g/mol. Its IUPAC name is cesium;actinium;3-bromocyclohexene;1-cyclohex-2-en-1-yl-5-methyl-2-phenylindole;1-cyclohexyl-2-phenylindole-5-carboxylic acid;(2,4-dimethylphenyl)azanide;methane;4-methylaniline;5-methyl-2-phenyl-1H-indole;molecular hydrogen;prop-1-yne;hydroxide;hydrate.

Molecular Properties

Compound Namecesium;actinium;3-bromocyclohexene;1-cyclohex-2-en-1-yl-5-methyl-2-phenylindole;1-cyclohexyl-2-phenylindole-5-carboxylic acid;(2,4-dimethylphenyl)azanide;methane;4-methylaniline;5-methyl-2-phenyl-1H-indole;molecular hydrogen;prop-1-yne;hydroxide;hydrate
PubChem CID159511370
Molecular FormulaC82H96AcBrCsN5O4-
Molecular Weight1655.51 g/mol
Exact Mass1653.60
IUPAC Namecesium;actinium;3-bromocyclohexene;1-cyclohex-2-en-1-yl-5-methyl-2-phenylindole;1-cyclohexyl-2-phenylindole-5-carboxylic acid;(2,4-dimethylphenyl)azanide;methane;4-methylaniline;5-methyl-2-phenyl-1H-indole;molecular hydrogen;prop-1-yne;hydroxide;hydrate
SMILESBrC1C=CCCC1.C.C#CC.Cc1ccc(N)cc1.Cc1ccc([NH-])c(C)c1.Cc1ccc2[nH]c(-c3ccccc3)cc2c1.Cc1ccc2c(c1)cc(-c1ccccc1)n2C1C=CCCC1.O.O=C(O)c1ccc2c(c1)cc(-c1ccccc1)n2C1CCCCC1.[Ac].[Cs+].[H][H].[OH-]
InChIInChI=1S/C21H21NO2.C21H21N.C15H13N.C8H10N.C7H9N.C6H9Br.C3H4.CH4.Ac.Cs.2H2O.H2/c23-21(24)16-11-12-19-17(13-16)14-20(15-7-3-1-4-8-15)22(19)18-9-5-2-6-10-18;1-16-12-13-20-18(14-16)15-21(17-8-4-2-5-9-17)22(20)19-10-6-3-7-11-19;1-11-7-8-14-13(9-11)10-15(16-14)12-5-3-2-4-6-12;1-6-3-4-8(9)7(2)5-6;1-6-2-4-7(8)5-3-6;7-6-4-2-1-3-5-6;1-3-2;;;;;;/h1,3-4,7-8,11-14,18H,2,5-6,9-10H2,(H,23,24);2,4-6,8-10,12-15,19H,3,7,11H2,1H3;2-10,16H,1H3;3-5,9H,1-2H3;2-5H,8H2,1H3;2,4,6H,1,3,5H2;1H,2H3;1H4;;;2*1H2;1H/q;;;-1;;;;;;+1;;;/p-1
InChIKeyZTNADMUNNUSHNB-UHFFFAOYSA-M
XLogP20.13
TPSA174.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001655.51
LogP ≤ 520.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze cesium;actinium;3-bromocyclohexene;1-cyclohex-2-en-1-yl-5-methyl-2-phenylindole;1-cyclohexyl-2-phenylindole-5-carboxylic acid;(2,4-dimethylphenyl)azanide;methane;4-methylaniline;5-methyl-2-phenyl-1H-indole;molecular hydrogen;prop-1-yne;hydroxide;hydrate with MolForge

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Related Compounds

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CID 160001396
3,3-dimethylbutan-1-amine;N-(3,3-dimethylbutyl)-1H-indole-5-carboxamide;N-(3,3-dimethylbutyl)-1-[4-(trifluoromethyl)phenyl]indole-5-carboxamide;1-fluoro-4-(trifluoromethyl)benzene;1H-indole-5-carboxylic acid
CID 160544167
tetrakis(4-[[(2S)-2-cyclohexyl-2-[2-(4-methylphenyl)indol-1-yl]acetyl]amino]-3-(trifluoromethyl)benzoic acid);ethane
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1-(bromomethyl)-4-(trifluoromethyl)benzene;1-(2-fluoroethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxylic acid;methyl 1-(2-fluoroethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 2-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxylate
CID 161979196
4-(2-((5-(4-Carboxyphenyl)-3-(9-ethyl-9h-carbazol-3-yl)-1h-pyrrol-2-yl)imino)-3-(9-ethyl-9h-carbazol-3-yl)-2h-pyrrol-5-yl)benzoic acid
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6-(6-Carboxy-9-octylcarbazol-3-yl)-9-octylcarbazole-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of cesium;actinium;3-bromocyclohexene;1-cyclohex-2-en-1-yl-5-methyl-2-phenylindole;1-cyclohexyl-2-phenylindole-5-carboxylic acid;(2,4-dimethylphenyl)azanide;methane;4-methylaniline;5-methyl-2-phenyl-1H-indole;molecular hydrogen;prop-1-yne;hydroxide;hydrate?
The IUPAC name of cesium;actinium;3-bromocyclohexene;1-cyclohex-2-en-1-yl-5-methyl-2-phenylindole;1-cyclohexyl-2-phenylindole-5-carboxylic acid;(2,4-dimethylphenyl)azanide;methane;4-methylaniline;5-methyl-2-phenyl-1H-indole;molecular hydrogen;prop-1-yne;hydroxide;hydrate (CID 159511370) is cesium;actinium;3-bromocyclohexene;1-cyclohex-2-en-1-yl-5-methyl-2-phenylindole;1-cyclohexyl-2-phenylindole-5-carboxylic acid;(2,4-dimethylphenyl)azanide;methane;4-methylaniline;5-methyl-2-phenyl-1H-indole;molecular hydrogen;prop-1-yne;hydroxide;hydrate.
What is the SMILES notation for cesium;actinium;3-bromocyclohexene;1-cyclohex-2-en-1-yl-5-methyl-2-phenylindole;1-cyclohexyl-2-phenylindole-5-carboxylic acid;(2,4-dimethylphenyl)azanide;methane;4-methylaniline;5-methyl-2-phenyl-1H-indole;molecular hydrogen;prop-1-yne;hydroxide;hydrate?
The canonical SMILES for cesium;actinium;3-bromocyclohexene;1-cyclohex-2-en-1-yl-5-methyl-2-phenylindole;1-cyclohexyl-2-phenylindole-5-carboxylic acid;(2,4-dimethylphenyl)azanide;methane;4-methylaniline;5-methyl-2-phenyl-1H-indole;molecular hydrogen;prop-1-yne;hydroxide;hydrate is BrC1C=CCCC1.C.C#CC.Cc1ccc(N)cc1.Cc1ccc([NH-])c(C)c1.Cc1ccc2[nH]c(-c3ccccc3)cc2c1.Cc1ccc2c(c1)cc(-c1ccccc1)n2C1C=CCCC1.O.O=C(O)c1ccc2c(c1)cc(-c1ccccc1)n2C1CCCCC1.[Ac].[Cs+].[H][H].[OH-].
What is the InChIKey of cesium;actinium;3-bromocyclohexene;1-cyclohex-2-en-1-yl-5-methyl-2-phenylindole;1-cyclohexyl-2-phenylindole-5-carboxylic acid;(2,4-dimethylphenyl)azanide;methane;4-methylaniline;5-methyl-2-phenyl-1H-indole;molecular hydrogen;prop-1-yne;hydroxide;hydrate?
The InChIKey is ZTNADMUNNUSHNB-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H21NO2.C21H21N.C15H13N.C8H10N.C7H9N.C6H9Br.C3H4.CH4.Ac.Cs.2H2O.H2/c23-21(24)16-11-12-19-17(13-16)14-20(15-7-3-1-4-8-15)22(19)18-9-5-2-6-10-18;1-16-12-13-20-18(14-16)15-21(17-8-4-2-5-9-17)22(20)19-10-6-3-7-11-19;1-11-7-8-14-13(9-11)10-15(16-14)12-5-3-2-4-6-12;1-6-3-4-8(9)7(2)5-6;1-6-2-4-7(8)5-3-6;7-6-4-2-1-3-5-6;1-3-2;;;;;;/h1,3-4,7-8,11-14,18H,2,5-6,9-10H2,(H,23,24);2,4-6,8-10,12-15,19H,3,7,11H2,1H3;2-10,16H,1H3;3-5,9H,1-2H3;2-5H,8H2,1H3;2,4,6H,1,3,5H2;1H,2H3;1H4;;;2*1H2;1H/q;;;-1;;;;;;+1;;;/p-1.
What are the key properties of cesium;actinium;3-bromocyclohexene;1-cyclohex-2-en-1-yl-5-methyl-2-phenylindole;1-cyclohexyl-2-phenylindole-5-carboxylic acid;(2,4-dimethylphenyl)azanide;methane;4-methylaniline;5-methyl-2-phenyl-1H-indole;molecular hydrogen;prop-1-yne;hydroxide;hydrate?
cesium;actinium;3-bromocyclohexene;1-cyclohex-2-en-1-yl-5-methyl-2-phenylindole;1-cyclohexyl-2-phenylindole-5-carboxylic acid;(2,4-dimethylphenyl)azanide;methane;4-methylaniline;5-methyl-2-phenyl-1H-indole;molecular hydrogen;prop-1-yne;hydroxide;hydrate has a molecular weight of 1655.51 g/mol, XLogP of 20.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;actinium;3-bromocyclohexene;1-cyclohex-2-en-1-yl-5-methyl-2-phenylindole;1-cyclohexyl-2-phenylindole-5-carboxylic acid;(2,4-dimethylphenyl)azanide;methane;4-methylaniline;5-methyl-2-phenyl-1H-indole;molecular hydrogen;prop-1-yne;hydroxide;hydrate is sourced from PubChem (CID 159511370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).