[1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol;1-[1-(ethoxymethyl)indol-2-yl]-1-pyridin-4-ylbut-2-yn-1-ol;1H-inden-2-yl-(1H-indol-2-yl)-pyridin-4-ylmethanol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-2-yn-1-ol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-3-yn-1-ol;(1-phenylindol-2-yl)-pyridin-4-ylmethanone;tris(sulfur dioxide)

C129H104N12O15S4 — CID 158992724

IUPAC[1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol;1-[1-(ethoxymethyl)indol-2-yl]-1-pyridin-4-ylbut-2-yn-1-ol;1H-inden-2-yl-(1H-indol-2-yl)-pyridin-4-ylmethanol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-2-yn-1-ol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-3-yn-1-ol;(1-phenylindol-2-yl)-pyridin-4-ylmethanone;tris(sulfur dioxide)
SMILESC#CCC(O)(c1ccncc1)c1cc2ccccc2n1-c1ccccc1.CC#CC(O)(c1ccncc1)c1cc2ccccc2n1-c1ccccc1.CC#CC(O)(c1ccncc1)c1cc2ccccc2n1COCC.O=C(c1ccncc1)c1cc2ccccc2n1-c1ccccc1.O=S(=O)(c1ccccc1)n1c(C(O)c2ccncc2)cc2ccccc21.O=S=O.O=S=O.O=S=O.OC(C1=Cc2ccccc2C1)(c1ccncc1)c1cc2ccccc2[nH]1
InChIInChI=1S/3C23H18N2O.C20H16N2O3S.C20H20N2O2.C20H14N2O.3O2S/c26-23(19-9-11-24-12-10-19,20-13-16-5-1-2-6-17(16)14-20)22-15-18-7-3-4-8-21(18)25-22;2*1-2-14-23(26,19-12-15-24-16-13-19)22-17-18-8-6-7-11-21(18)25(22)20-9-4-3-5-10-20;23-20(15-10-12-21-13-11-15)19-14-16-6-4-5-9-18(16)22(19)26(24,25)17-7-2-1-3-8-17;1-3-11-20(23,17-9-12-21-13-10-17)19-14-16-7-5-6-8-18(16)22(19)15-24-4-2;23-20(15-10-12-21-13-11-15)19-14-16-6-4-5-9-18(16)22(19)17-7-2-1-3-8-17;3*1-3-2/h1-13,15,25-26H,14H2;3-13,15-17,26H,1H3;1,3-13,15-17,26H,14H2;1-14,20,23H;5-10,12-14,23H,4,15H2,1-2H3;1-14H;;;
InChIKeyJQJAZRKAOYCQAJ-UHFFFAOYSA-N
MW2190.59 g/mol
LogP21.90
Rot. Bonds22

About [1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol;1-[1-(ethoxymethyl)indol-2-yl]-1-pyridin-4-ylbut-2-yn-1-ol;1H-inden-2-yl-(1H-indol-2-yl)-pyridin-4-ylmethanol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-2-yn-1-ol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-3-yn-1-ol;(1-phenylindol-2-yl)-pyridin-4-ylmethanone;tris(sulfur dioxide)

[1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol;1-[1-(ethoxymethyl)indol-2-yl]-1-pyridin-4-ylbut-2-yn-1-ol;1H-inden-2-yl-(1H-indol-2-yl)-pyridin-4-ylmethanol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-2-yn-1-ol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-3-yn-1-ol;(1-phenylindol-2-yl)-pyridin-4-ylmethanone;tris(sulfur dioxide) (PubChem CID 158992724) has the molecular formula C129H104N12O15S4 and a molecular weight of 2190.59 g/mol. Its IUPAC name is [1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol;1-[1-(ethoxymethyl)indol-2-yl]-1-pyridin-4-ylbut-2-yn-1-ol;1H-inden-2-yl-(1H-indol-2-yl)-pyridin-4-ylmethanol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-2-yn-1-ol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-3-yn-1-ol;(1-phenylindol-2-yl)-pyridin-4-ylmethanone;tris(sulfur dioxide).

Molecular Properties

Compound Name[1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol;1-[1-(ethoxymethyl)indol-2-yl]-1-pyridin-4-ylbut-2-yn-1-ol;1H-inden-2-yl-(1H-indol-2-yl)-pyridin-4-ylmethanol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-2-yn-1-ol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-3-yn-1-ol;(1-phenylindol-2-yl)-pyridin-4-ylmethanone;tris(sulfur dioxide)
PubChem CID158992724
Molecular FormulaC129H104N12O15S4
Molecular Weight2190.59 g/mol
Exact Mass2188.66
IUPAC Name[1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol;1-[1-(ethoxymethyl)indol-2-yl]-1-pyridin-4-ylbut-2-yn-1-ol;1H-inden-2-yl-(1H-indol-2-yl)-pyridin-4-ylmethanol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-2-yn-1-ol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-3-yn-1-ol;(1-phenylindol-2-yl)-pyridin-4-ylmethanone;tris(sulfur dioxide)
SMILESC#CCC(O)(c1ccncc1)c1cc2ccccc2n1-c1ccccc1.CC#CC(O)(c1ccncc1)c1cc2ccccc2n1-c1ccccc1.CC#CC(O)(c1ccncc1)c1cc2ccccc2n1COCC.O=C(c1ccncc1)c1cc2ccccc2n1-c1ccccc1.O=S(=O)(c1ccccc1)n1c(C(O)c2ccncc2)cc2ccccc21.O=S=O.O=S=O.O=S=O.OC(C1=Cc2ccccc2C1)(c1ccncc1)c1cc2ccccc2[nH]1
InChIInChI=1S/3C23H18N2O.C20H16N2O3S.C20H20N2O2.C20H14N2O.3O2S/c26-23(19-9-11-24-12-10-19,20-13-16-5-1-2-6-17(16)14-20)22-15-18-7-3-4-8-21(18)25-22;2*1-2-14-23(26,19-12-15-24-16-13-19)22-17-18-8-6-7-11-21(18)25(22)20-9-4-3-5-10-20;23-20(15-10-12-21-13-11-15)19-14-16-6-4-5-9-18(16)22(19)26(24,25)17-7-2-1-3-8-17;1-3-11-20(23,17-9-12-21-13-10-17)19-14-16-7-5-6-8-18(16)22(19)15-24-4-2;23-20(15-10-12-21-13-11-15)19-14-16-6-4-5-9-18(16)22(19)17-7-2-1-3-8-17;3*1-3-2/h1-13,15,25-26H,14H2;3-13,15-17,26H,1H3;1,3-13,15-17,26H,14H2;1-14,20,23H;5-10,12-14,23H,4,15H2,1-2H3;1-14H;;;
InChIKeyJQJAZRKAOYCQAJ-UHFFFAOYSA-N
XLogP21.90
TPSA381.79 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002190.59
LogP ≤ 521.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol;1-[1-(ethoxymethyl)indol-2-yl]-1-pyridin-4-ylbut-2-yn-1-ol;1H-inden-2-yl-(1H-indol-2-yl)-pyridin-4-ylmethanol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-2-yn-1-ol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-3-yn-1-ol;(1-phenylindol-2-yl)-pyridin-4-ylmethanone;tris(sulfur dioxide) with MolForge

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Related Compounds

lithium;sodium;[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol;[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanone;5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;sulfur dioxide;hydroxide;hydrochloride
CID 157335068
1-[1-(benzenesulfonyl)indol-2-yl]-2-(1H-indol-2-yl)ethanol;1-[1-(benzenesulfonyl)indol-2-yl]-2-(1H-indol-2-yl)-1-pyridin-4-ylethanol;1-(1-ethylindol-2-yl)-2-(1H-indol-2-yl)-1-pyridin-4-ylethanol;1-(1H-inden-2-yl)-2-(1H-indol-2-yl)-1-pyridin-4-ylethanol;bis(1-(2-methyl-4-pyridinyl)-1-(1-phenylindol-2-yl)but-3-yn-1-ol);1-(3-methyl-4-pyridinyl)-1-(1-phenylindol-2-yl)but-3-yn-1-ol;tris(sulfur dioxide)
CID 157700313
lithium;sodium;[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol;[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanone;5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylsulfanylperoxyindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;hydroxide;hydrochloride
CID 157779953
4-(benzenesulfonyl)-1,1-dimethyl-2H-cyclopenta[b]indol-3-one;1-(benzenesulfonyl)indole;1-[1-(benzenesulfonyl)indol-2-yl]-3-methylbut-2-en-1-ol;1-[1-(benzenesulfonyl)indol-2-yl]-3-methylbut-2-en-1-one;1H-indole
CID 158102587
[1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol;[1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanone;1-[1-(ethoxymethyl)indol-2-yl]-1-phenylbut-2-yn-1-ol;1H-inden-2-yl-(1H-indol-2-yl)-pyridin-4-ylmethanol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-3-yn-1-ol;1-phenyl-1-(1-phenylindol-2-yl)but-2-yn-1-ol;bis(sulfur dioxide)
CID 159090966
lithium;sodium;bis([1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol);5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylsulfanylperoxyindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;hydroxide;hydrochloride
CID 159849248
1-[1-(benzenesulfonyl)indol-2-yl]-2-(1H-indol-2-yl)ethanol;1-[1-(benzenesulfonyl)indol-2-yl]-2-(1H-indol-2-yl)-1-pyridin-4-ylethanol;1-(1-ethylindol-2-yl)-2-(1H-indol-2-yl)-1-pyridin-4-ylethanol;1-(1H-inden-2-yl)-2-(1H-indol-2-yl)-1-pyridin-4-ylethanol;2-methyl-3-[(2-methyl-3H-inden-1-yl)-(2-methyl-1H-indol-3-yl)methyl]-1H-indole
CID 160355934
[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 [1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol;1-[1-(ethoxymethyl)indol-2-yl]-1-pyridin-4-ylbut-2-yn-1-ol;1H-inden-2-yl-(1H-indol-2-yl)-pyridin-4-ylmethanol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-2-yn-1-ol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-3-yn-1-ol;(1-phenylindol-2-yl)-pyridin-4-ylmethanone;tris(sulfur dioxide)?
The IUPAC name of [1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol;1-[1-(ethoxymethyl)indol-2-yl]-1-pyridin-4-ylbut-2-yn-1-ol;1H-inden-2-yl-(1H-indol-2-yl)-pyridin-4-ylmethanol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-2-yn-1-ol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-3-yn-1-ol;(1-phenylindol-2-yl)-pyridin-4-ylmethanone;tris(sulfur dioxide) (CID 158992724) is [1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol;1-[1-(ethoxymethyl)indol-2-yl]-1-pyridin-4-ylbut-2-yn-1-ol;1H-inden-2-yl-(1H-indol-2-yl)-pyridin-4-ylmethanol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-2-yn-1-ol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-3-yn-1-ol;(1-phenylindol-2-yl)-pyridin-4-ylmethanone;tris(sulfur dioxide).
What is the SMILES notation for [1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol;1-[1-(ethoxymethyl)indol-2-yl]-1-pyridin-4-ylbut-2-yn-1-ol;1H-inden-2-yl-(1H-indol-2-yl)-pyridin-4-ylmethanol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-2-yn-1-ol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-3-yn-1-ol;(1-phenylindol-2-yl)-pyridin-4-ylmethanone;tris(sulfur dioxide)?
The canonical SMILES for [1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol;1-[1-(ethoxymethyl)indol-2-yl]-1-pyridin-4-ylbut-2-yn-1-ol;1H-inden-2-yl-(1H-indol-2-yl)-pyridin-4-ylmethanol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-2-yn-1-ol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-3-yn-1-ol;(1-phenylindol-2-yl)-pyridin-4-ylmethanone;tris(sulfur dioxide) is C#CCC(O)(c1ccncc1)c1cc2ccccc2n1-c1ccccc1.CC#CC(O)(c1ccncc1)c1cc2ccccc2n1-c1ccccc1.CC#CC(O)(c1ccncc1)c1cc2ccccc2n1COCC.O=C(c1ccncc1)c1cc2ccccc2n1-c1ccccc1.O=S(=O)(c1ccccc1)n1c(C(O)c2ccncc2)cc2ccccc21.O=S=O.O=S=O.O=S=O.OC(C1=Cc2ccccc2C1)(c1ccncc1)c1cc2ccccc2[nH]1.
What is the InChIKey of [1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol;1-[1-(ethoxymethyl)indol-2-yl]-1-pyridin-4-ylbut-2-yn-1-ol;1H-inden-2-yl-(1H-indol-2-yl)-pyridin-4-ylmethanol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-2-yn-1-ol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-3-yn-1-ol;(1-phenylindol-2-yl)-pyridin-4-ylmethanone;tris(sulfur dioxide)?
The InChIKey is JQJAZRKAOYCQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H18N2O.C20H16N2O3S.C20H20N2O2.C20H14N2O.3O2S/c26-23(19-9-11-24-12-10-19,20-13-16-5-1-2-6-17(16)14-20)22-15-18-7-3-4-8-21(18)25-22;2*1-2-14-23(26,19-12-15-24-16-13-19)22-17-18-8-6-7-11-21(18)25(22)20-9-4-3-5-10-20;23-20(15-10-12-21-13-11-15)19-14-16-6-4-5-9-18(16)22(19)26(24,25)17-7-2-1-3-8-17;1-3-11-20(23,17-9-12-21-13-10-17)19-14-16-7-5-6-8-18(16)22(19)15-24-4-2;23-20(15-10-12-21-13-11-15)19-14-16-6-4-5-9-18(16)22(19)17-7-2-1-3-8-17;3*1-3-2/h1-13,15,25-26H,14H2;3-13,15-17,26H,1H3;1,3-13,15-17,26H,14H2;1-14,20,23H;5-10,12-14,23H,4,15H2,1-2H3;1-14H;;;.
What are the key properties of [1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol;1-[1-(ethoxymethyl)indol-2-yl]-1-pyridin-4-ylbut-2-yn-1-ol;1H-inden-2-yl-(1H-indol-2-yl)-pyridin-4-ylmethanol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-2-yn-1-ol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-3-yn-1-ol;(1-phenylindol-2-yl)-pyridin-4-ylmethanone;tris(sulfur dioxide)?
[1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol;1-[1-(ethoxymethyl)indol-2-yl]-1-pyridin-4-ylbut-2-yn-1-ol;1H-inden-2-yl-(1H-indol-2-yl)-pyridin-4-ylmethanol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-2-yn-1-ol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-3-yn-1-ol;(1-phenylindol-2-yl)-pyridin-4-ylmethanone;tris(sulfur dioxide) has a molecular weight of 2190.59 g/mol, XLogP of 21.90, 22 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol;1-[1-(ethoxymethyl)indol-2-yl]-1-pyridin-4-ylbut-2-yn-1-ol;1H-inden-2-yl-(1H-indol-2-yl)-pyridin-4-ylmethanol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-2-yn-1-ol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-3-yn-1-ol;(1-phenylindol-2-yl)-pyridin-4-ylmethanone;tris(sulfur dioxide) is sourced from PubChem (CID 158992724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).