2-amino-1-[2-(1H-indol-5-ylmethyl)phenyl]ethanol;2-[[1-(benzenesulfonyl)indol-5-yl]methyl]benzaldehyde;1-[2-[[1-(benzenesulfonyl)indol-5-yl]methyl]phenyl]-2-nitroethanol;2-(1H-indol-5-ylmethyl)benzaldehyde;methane;tungsten

C81H80N6O10S2W2 — CID 161443739

IUPAC2-amino-1-[2-(1H-indol-5-ylmethyl)phenyl]ethanol;2-[[1-(benzenesulfonyl)indol-5-yl]methyl]benzaldehyde;1-[2-[[1-(benzenesulfonyl)indol-5-yl]methyl]phenyl]-2-nitroethanol;2-(1H-indol-5-ylmethyl)benzaldehyde;methane;tungsten
SMILESC.C.C.NCC(O)c1ccccc1Cc1ccc2[nH]ccc2c1.O=Cc1ccccc1Cc1ccc2[nH]ccc2c1.O=Cc1ccccc1Cc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.O=[N+]([O-])CC(O)c1ccccc1Cc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.[W].[W]
InChIInChI=1S/C23H20N2O5S.C22H17NO3S.C17H18N2O.C16H13NO.3CH4.2W/c26-23(16-25(27)28)21-9-5-4-6-18(21)14-17-10-11-22-19(15-17)12-13-24(22)31(29,30)20-7-2-1-3-8-20;24-16-20-7-5-4-6-18(20)14-17-10-11-22-19(15-17)12-13-23(22)27(25,26)21-8-2-1-3-9-21;18-11-17(20)15-4-2-1-3-13(15)9-12-5-6-16-14(10-12)7-8-19-16;18-11-15-4-2-1-3-13(15)9-12-5-6-16-14(10-12)7-8-17-16;;;;;/h1-13,15,23,26H,14,16H2;1-13,15-16H,14H2;1-8,10,17,19-20H,9,11,18H2;1-8,10-11,17H,9H2;3*1H4;;
InChIKeyVZPVZYBPAPWXGQ-UHFFFAOYSA-N
MW1729.38 g/mol
LogP16.29
Rot. Bonds19

About 2-amino-1-[2-(1H-indol-5-ylmethyl)phenyl]ethanol;2-[[1-(benzenesulfonyl)indol-5-yl]methyl]benzaldehyde;1-[2-[[1-(benzenesulfonyl)indol-5-yl]methyl]phenyl]-2-nitroethanol;2-(1H-indol-5-ylmethyl)benzaldehyde;methane;tungsten

2-amino-1-[2-(1H-indol-5-ylmethyl)phenyl]ethanol;2-[[1-(benzenesulfonyl)indol-5-yl]methyl]benzaldehyde;1-[2-[[1-(benzenesulfonyl)indol-5-yl]methyl]phenyl]-2-nitroethanol;2-(1H-indol-5-ylmethyl)benzaldehyde;methane;tungsten (PubChem CID 161443739) has the molecular formula C81H80N6O10S2W2 and a molecular weight of 1729.38 g/mol. Its IUPAC name is 2-amino-1-[2-(1H-indol-5-ylmethyl)phenyl]ethanol;2-[[1-(benzenesulfonyl)indol-5-yl]methyl]benzaldehyde;1-[2-[[1-(benzenesulfonyl)indol-5-yl]methyl]phenyl]-2-nitroethanol;2-(1H-indol-5-ylmethyl)benzaldehyde;methane;tungsten.

Molecular Properties

Compound Name2-amino-1-[2-(1H-indol-5-ylmethyl)phenyl]ethanol;2-[[1-(benzenesulfonyl)indol-5-yl]methyl]benzaldehyde;1-[2-[[1-(benzenesulfonyl)indol-5-yl]methyl]phenyl]-2-nitroethanol;2-(1H-indol-5-ylmethyl)benzaldehyde;methane;tungsten
PubChem CID161443739
Molecular FormulaC81H80N6O10S2W2
Molecular Weight1729.38 g/mol
Exact Mass1728.44
IUPAC Name2-amino-1-[2-(1H-indol-5-ylmethyl)phenyl]ethanol;2-[[1-(benzenesulfonyl)indol-5-yl]methyl]benzaldehyde;1-[2-[[1-(benzenesulfonyl)indol-5-yl]methyl]phenyl]-2-nitroethanol;2-(1H-indol-5-ylmethyl)benzaldehyde;methane;tungsten
SMILESC.C.C.NCC(O)c1ccccc1Cc1ccc2[nH]ccc2c1.O=Cc1ccccc1Cc1ccc2[nH]ccc2c1.O=Cc1ccccc1Cc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.O=[N+]([O-])CC(O)c1ccccc1Cc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.[W].[W]
InChIInChI=1S/C23H20N2O5S.C22H17NO3S.C17H18N2O.C16H13NO.3CH4.2W/c26-23(16-25(27)28)21-9-5-4-6-18(21)14-17-10-11-22-19(15-17)12-13-24(22)31(29,30)20-7-2-1-3-8-20;24-16-20-7-5-4-6-18(20)14-17-10-11-22-19(15-17)12-13-23(22)27(25,26)21-8-2-1-3-9-21;18-11-17(20)15-4-2-1-3-13(15)9-12-5-6-16-14(10-12)7-8-19-16;18-11-15-4-2-1-3-13(15)9-12-5-6-16-14(10-12)7-8-17-16;;;;;/h1-13,15,23,26H,14,16H2;1-13,15-16H,14H2;1-8,10,17,19-20H,9,11,18H2;1-8,10-11,17H,9H2;3*1H4;;
InChIKeyVZPVZYBPAPWXGQ-UHFFFAOYSA-N
XLogP16.29
TPSA253.48 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001729.38
LogP ≤ 516.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-1-[2-(1H-indol-5-ylmethyl)phenyl]ethanol;2-[[1-(benzenesulfonyl)indol-5-yl]methyl]benzaldehyde;1-[2-[[1-(benzenesulfonyl)indol-5-yl]methyl]phenyl]-2-nitroethanol;2-(1H-indol-5-ylmethyl)benzaldehyde;methane;tungsten with MolForge

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Related Compounds

3-(bromomethyl)-5-fluoro-1-(4-methylphenyl)sulfonylindole;5-fluoro-1H-indole-3-carbaldehyde;5-fluoro-1-(4-methylphenyl)sulfonylindole-3-carbaldehyde;[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]methanol
CID 157167770
4-methyl-1H-indole-7-carboxylic acid;1-(4-methyl-1H-indol-7-yl)propan-1-ol;bis(methyl 4-methyl-1H-indole-7-carboxylate);methyl 4-methyl-2-nitrobenzoate;4-methyl-2-nitrobenzoic acid
CID 157712061
3-acetyl-1-(benzenesulfonyl)indole-5-carboxylic acid;1-(benzenesulfonyl)-5-methylindole;bis(1-[1-(benzenesulfonyl)-5-methylindol-3-yl]ethanone);1H-indole-5-carboxylic acid;5-methyl-1H-indole
CID 158313733
1-(benzenesulfonyl)indole-5-carbaldehyde;2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethanol;[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane;1H-indole-5-carbaldehyde;methyl 3-[1-(benzenesulfonyl)indol-5-yl]-3-phenylpropanoate;methyl (E)-3-[1-(benzenesulfonyl)indol-5-yl]prop-2-enoate
CID 158691790
CID 158914222
CID 158914222
1-[[4-[3-(aminomethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-aminophenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-[2-(hydroxymethyl)phenyl]phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(3-methylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfanylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide;1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-N-[(1S)-1-(4-nitrophenyl)ethyl]indole-5-carboxamide
CID 159687816
CID 160916798
CID 160916798
[3-[1-(benzenesulfonyl)indol-2-yl]phenyl]-(1-methylindol-2-yl)methanol;1-(benzenesulfonyl)-2-[3-[1-(1-phenylindol-2-yl)ethenyl]phenyl]indole;1H-inden-2-yl-[3-(1H-indol-2-yl)phenyl]methanone;2-[3-[1-(1H-indol-2-yl)ethyl]phenyl]-1H-indole;2-[3-(1H-indol-2-ylmethyl)phenyl]-1H-indole;sulfur dioxide
CID 161301293

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(1H-indol-5-ylmethyl)phenyl]ethanol;2-[[1-(benzenesulfonyl)indol-5-yl]methyl]benzaldehyde;1-[2-[[1-(benzenesulfonyl)indol-5-yl]methyl]phenyl]-2-nitroethanol;2-(1H-indol-5-ylmethyl)benzaldehyde;methane;tungsten?
The IUPAC name of 2-amino-1-[2-(1H-indol-5-ylmethyl)phenyl]ethanol;2-[[1-(benzenesulfonyl)indol-5-yl]methyl]benzaldehyde;1-[2-[[1-(benzenesulfonyl)indol-5-yl]methyl]phenyl]-2-nitroethanol;2-(1H-indol-5-ylmethyl)benzaldehyde;methane;tungsten (CID 161443739) is 2-amino-1-[2-(1H-indol-5-ylmethyl)phenyl]ethanol;2-[[1-(benzenesulfonyl)indol-5-yl]methyl]benzaldehyde;1-[2-[[1-(benzenesulfonyl)indol-5-yl]methyl]phenyl]-2-nitroethanol;2-(1H-indol-5-ylmethyl)benzaldehyde;methane;tungsten.
What is the SMILES notation for 2-amino-1-[2-(1H-indol-5-ylmethyl)phenyl]ethanol;2-[[1-(benzenesulfonyl)indol-5-yl]methyl]benzaldehyde;1-[2-[[1-(benzenesulfonyl)indol-5-yl]methyl]phenyl]-2-nitroethanol;2-(1H-indol-5-ylmethyl)benzaldehyde;methane;tungsten?
The canonical SMILES for 2-amino-1-[2-(1H-indol-5-ylmethyl)phenyl]ethanol;2-[[1-(benzenesulfonyl)indol-5-yl]methyl]benzaldehyde;1-[2-[[1-(benzenesulfonyl)indol-5-yl]methyl]phenyl]-2-nitroethanol;2-(1H-indol-5-ylmethyl)benzaldehyde;methane;tungsten is C.C.C.NCC(O)c1ccccc1Cc1ccc2[nH]ccc2c1.O=Cc1ccccc1Cc1ccc2[nH]ccc2c1.O=Cc1ccccc1Cc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.O=[N+]([O-])CC(O)c1ccccc1Cc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.[W].[W].
What is the InChIKey of 2-amino-1-[2-(1H-indol-5-ylmethyl)phenyl]ethanol;2-[[1-(benzenesulfonyl)indol-5-yl]methyl]benzaldehyde;1-[2-[[1-(benzenesulfonyl)indol-5-yl]methyl]phenyl]-2-nitroethanol;2-(1H-indol-5-ylmethyl)benzaldehyde;methane;tungsten?
The InChIKey is VZPVZYBPAPWXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5S.C22H17NO3S.C17H18N2O.C16H13NO.3CH4.2W/c26-23(16-25(27)28)21-9-5-4-6-18(21)14-17-10-11-22-19(15-17)12-13-24(22)31(29,30)20-7-2-1-3-8-20;24-16-20-7-5-4-6-18(20)14-17-10-11-22-19(15-17)12-13-23(22)27(25,26)21-8-2-1-3-9-21;18-11-17(20)15-4-2-1-3-13(15)9-12-5-6-16-14(10-12)7-8-19-16;18-11-15-4-2-1-3-13(15)9-12-5-6-16-14(10-12)7-8-17-16;;;;;/h1-13,15,23,26H,14,16H2;1-13,15-16H,14H2;1-8,10,17,19-20H,9,11,18H2;1-8,10-11,17H,9H2;3*1H4;;.
What are the key properties of 2-amino-1-[2-(1H-indol-5-ylmethyl)phenyl]ethanol;2-[[1-(benzenesulfonyl)indol-5-yl]methyl]benzaldehyde;1-[2-[[1-(benzenesulfonyl)indol-5-yl]methyl]phenyl]-2-nitroethanol;2-(1H-indol-5-ylmethyl)benzaldehyde;methane;tungsten?
2-amino-1-[2-(1H-indol-5-ylmethyl)phenyl]ethanol;2-[[1-(benzenesulfonyl)indol-5-yl]methyl]benzaldehyde;1-[2-[[1-(benzenesulfonyl)indol-5-yl]methyl]phenyl]-2-nitroethanol;2-(1H-indol-5-ylmethyl)benzaldehyde;methane;tungsten has a molecular weight of 1729.38 g/mol, XLogP of 16.29, 19 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(1H-indol-5-ylmethyl)phenyl]ethanol;2-[[1-(benzenesulfonyl)indol-5-yl]methyl]benzaldehyde;1-[2-[[1-(benzenesulfonyl)indol-5-yl]methyl]phenyl]-2-nitroethanol;2-(1H-indol-5-ylmethyl)benzaldehyde;methane;tungsten is sourced from PubChem (CID 161443739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).