ethane;ethanone;2-methanidylpropane;2-methylbutane;1-methyl-3-(2-methylpropyl)indole;5-methyl-1-(2-methylpropyl)indole;bis(2-methylpropylbenzene);3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium

C115H193F3N6OY-2 — CID 157212232

IUPACethane;ethanone;2-methanidylpropane;2-methylbutane;1-methyl-3-(2-methylpropyl)indole;5-methyl-1-(2-methylpropyl)indole;bis(2-methylpropylbenzene);3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium
SMILESCC.CC(C)C1CC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)CC(F)(F)F.CC(C)CN1CCCCC1.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1cn(C)c2ccccc12.CC(C)Cn1cccn1.CCC(C)C.C[C-]=O.Cc1ccc2c(ccn2CC(C)C)c1.[CH2-]C(C)C.[Y]
InChIInChI=1S/2C13H17N.C12H15N.2C10H14.C9H19N.C9H18.C8H16.C7H12N2.C6H12.C5H9F3.C5H12.C4H9.C2H3O.C2H6.Y/c1-10(2)9-14-7-6-12-8-11(3)4-5-13(12)14;1-10(2)8-11-9-14(3)13-7-5-4-6-12(11)13;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;3*1-9(2)8-10-6-4-3-5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-7(2)6-9-5-3-4-8-9;1-5(2)6-3-4-6;1-4(2)3-5(6,7)8;1-4-5(2)3;1-4(2)3;1-2-3;1-2;/h4-8,10H,9H2,1-3H3;4-7,9-10H,8H2,1-3H3;3-6,8-9,13H,7H2,1-2H3;2*3-7,9H,8H2,1-2H3;9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;3-5,7H,6H2,1-2H3;5-6H,3-4H2,1-2H3;4H,3H2,1-2H3;5H,4H2,1-3H3;4H,1H2,2-3H3;1H3;1-2H3;/q;;;;;;;;;;;;2*-1;;
InChIKeyXUIOPXFXXBIMCP-UHFFFAOYSA-N
MW1821.75 g/mol
LogP35.16
Rot. Bonds19

About ethane;ethanone;2-methanidylpropane;2-methylbutane;1-methyl-3-(2-methylpropyl)indole;5-methyl-1-(2-methylpropyl)indole;bis(2-methylpropylbenzene);3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium

ethane;ethanone;2-methanidylpropane;2-methylbutane;1-methyl-3-(2-methylpropyl)indole;5-methyl-1-(2-methylpropyl)indole;bis(2-methylpropylbenzene);3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium (PubChem CID 157212232) has the molecular formula C115H193F3N6OY-2 and a molecular weight of 1821.75 g/mol. Its IUPAC name is ethane;ethanone;2-methanidylpropane;2-methylbutane;1-methyl-3-(2-methylpropyl)indole;5-methyl-1-(2-methylpropyl)indole;bis(2-methylpropylbenzene);3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium.

Molecular Properties

Compound Nameethane;ethanone;2-methanidylpropane;2-methylbutane;1-methyl-3-(2-methylpropyl)indole;5-methyl-1-(2-methylpropyl)indole;bis(2-methylpropylbenzene);3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium
PubChem CID157212232
Molecular FormulaC115H193F3N6OY-2
Molecular Weight1821.75 g/mol
Exact Mass1820.43
IUPAC Nameethane;ethanone;2-methanidylpropane;2-methylbutane;1-methyl-3-(2-methylpropyl)indole;5-methyl-1-(2-methylpropyl)indole;bis(2-methylpropylbenzene);3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium
SMILESCC.CC(C)C1CC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)CC(F)(F)F.CC(C)CN1CCCCC1.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1cn(C)c2ccccc12.CC(C)Cn1cccn1.CCC(C)C.C[C-]=O.Cc1ccc2c(ccn2CC(C)C)c1.[CH2-]C(C)C.[Y]
InChIInChI=1S/2C13H17N.C12H15N.2C10H14.C9H19N.C9H18.C8H16.C7H12N2.C6H12.C5H9F3.C5H12.C4H9.C2H3O.C2H6.Y/c1-10(2)9-14-7-6-12-8-11(3)4-5-13(12)14;1-10(2)8-11-9-14(3)13-7-5-4-6-12(11)13;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;3*1-9(2)8-10-6-4-3-5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-7(2)6-9-5-3-4-8-9;1-5(2)6-3-4-6;1-4(2)3-5(6,7)8;1-4-5(2)3;1-4(2)3;1-2-3;1-2;/h4-8,10H,9H2,1-3H3;4-7,9-10H,8H2,1-3H3;3-6,8-9,13H,7H2,1-2H3;2*3-7,9H,8H2,1-2H3;9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;3-5,7H,6H2,1-2H3;5-6H,3-4H2,1-2H3;4H,3H2,1-2H3;5H,4H2,1-3H3;4H,1H2,2-3H3;1H3;1-2H3;/q;;;;;;;;;;;;2*-1;;
InChIKeyXUIOPXFXXBIMCP-UHFFFAOYSA-N
XLogP35.16
TPSA63.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001821.75
LogP ≤ 535.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethane;ethanone;2-methanidylpropane;2-methylbutane;1-methyl-3-(2-methylpropyl)indole;5-methyl-1-(2-methylpropyl)indole;bis(2-methylpropylbenzene);3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium with MolForge

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Related Compounds

US10660877, Example 156
CID 134329711
US11247989, Example 60
CID 137250531
1-(4-fluorophenyl)-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-5-(2-methylpyrazol-3-yl)indole
CID 10174659
1-(4-fluorophenyl)-3-[1-[3-(1H-indol-3-yl)propyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)indole
CID 10289505
3-Tert-butyl-9-[3-(3-tert-butylcarbazol-9-yl)-5-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]carbazole
CID 59399825
2-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol;6-fluoro-3-(1-piperidin-4-ylpyrazol-4-yl)-1H-indole;3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-1H-indole
CID 118064603
1-(4-(5-(6-fluoro-1H-indol-3-yl)-1H-indazol-1-yl)piperidin-1-yl)ethanone
CID 118382303
1-(4-((5-(6-fluoro-1H-indol-3-yl)-1H-indazol-1-yl)methyl)piperidin-1-yl)ethanone
CID 118382322
1-(4-(5-(6-fluoro-1H-indol-3-yl)-2H-indazol-2-yl)piperidin-1-yl)ethanone
CID 118382567
5-(6-fluoro-1H-indol-3-yl)-2-(piperidin-4-ylmethyl)-2H-indazole
CID 118382588
5-(6-fluoro-1H-indol-3-yl)-1-(piperidin-4-ylmethyl)-1H-indazole
CID 118382679
1-(4-((5-(6-fluoro-1H-indol-3-yl)-2H-indazol-2-yl)methyl)piperidin-1-yl)ethanone
CID 118382695

Frequently Asked Questions

What is the IUPAC name of ethane;ethanone;2-methanidylpropane;2-methylbutane;1-methyl-3-(2-methylpropyl)indole;5-methyl-1-(2-methylpropyl)indole;bis(2-methylpropylbenzene);3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium?
The IUPAC name of ethane;ethanone;2-methanidylpropane;2-methylbutane;1-methyl-3-(2-methylpropyl)indole;5-methyl-1-(2-methylpropyl)indole;bis(2-methylpropylbenzene);3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium (CID 157212232) is ethane;ethanone;2-methanidylpropane;2-methylbutane;1-methyl-3-(2-methylpropyl)indole;5-methyl-1-(2-methylpropyl)indole;bis(2-methylpropylbenzene);3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium.
What is the SMILES notation for ethane;ethanone;2-methanidylpropane;2-methylbutane;1-methyl-3-(2-methylpropyl)indole;5-methyl-1-(2-methylpropyl)indole;bis(2-methylpropylbenzene);3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium?
The canonical SMILES for ethane;ethanone;2-methanidylpropane;2-methylbutane;1-methyl-3-(2-methylpropyl)indole;5-methyl-1-(2-methylpropyl)indole;bis(2-methylpropylbenzene);3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium is CC.CC(C)C1CC1.CC(C)C1CCCC1.CC(C)C1CCCCC1.CC(C)CC(F)(F)F.CC(C)CN1CCCCC1.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1cn(C)c2ccccc12.CC(C)Cn1cccn1.CCC(C)C.C[C-]=O.Cc1ccc2c(ccn2CC(C)C)c1.[CH2-]C(C)C.[Y].
What is the InChIKey of ethane;ethanone;2-methanidylpropane;2-methylbutane;1-methyl-3-(2-methylpropyl)indole;5-methyl-1-(2-methylpropyl)indole;bis(2-methylpropylbenzene);3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium?
The InChIKey is XUIOPXFXXBIMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H17N.C12H15N.2C10H14.C9H19N.C9H18.C8H16.C7H12N2.C6H12.C5H9F3.C5H12.C4H9.C2H3O.C2H6.Y/c1-10(2)9-14-7-6-12-8-11(3)4-5-13(12)14;1-10(2)8-11-9-14(3)13-7-5-4-6-12(11)13;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;3*1-9(2)8-10-6-4-3-5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-8;1-7(2)6-9-5-3-4-8-9;1-5(2)6-3-4-6;1-4(2)3-5(6,7)8;1-4-5(2)3;1-4(2)3;1-2-3;1-2;/h4-8,10H,9H2,1-3H3;4-7,9-10H,8H2,1-3H3;3-6,8-9,13H,7H2,1-2H3;2*3-7,9H,8H2,1-2H3;9H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;3-5,7H,6H2,1-2H3;5-6H,3-4H2,1-2H3;4H,3H2,1-2H3;5H,4H2,1-3H3;4H,1H2,2-3H3;1H3;1-2H3;/q;;;;;;;;;;;;2*-1;;.
What are the key properties of ethane;ethanone;2-methanidylpropane;2-methylbutane;1-methyl-3-(2-methylpropyl)indole;5-methyl-1-(2-methylpropyl)indole;bis(2-methylpropylbenzene);3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium?
ethane;ethanone;2-methanidylpropane;2-methylbutane;1-methyl-3-(2-methylpropyl)indole;5-methyl-1-(2-methylpropyl)indole;bis(2-methylpropylbenzene);3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium has a molecular weight of 1821.75 g/mol, XLogP of 35.16, 19 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanone;2-methanidylpropane;2-methylbutane;1-methyl-3-(2-methylpropyl)indole;5-methyl-1-(2-methylpropyl)indole;bis(2-methylpropylbenzene);3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrazole;propan-2-ylcyclohexane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1,1,1-trifluoro-3-methylbutane;yttrium is sourced from PubChem (CID 157212232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).