2-[3-(4-chlorobenzoyl)-6-methoxy-3H-inden-1-yl]ethanone;2-(8-ethenyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanone;2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanone;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;pentakis(yttrium)

C86H74ClFN3O11SY5-5 — CID 160841722

IUPAC2-[3-(4-chlorobenzoyl)-6-methoxy-3H-inden-1-yl]ethanone;2-(8-ethenyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanone;2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanone;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;pentakis(yttrium)
SMILESC=Cc1cccc2c3c([nH]c12)C(CC)(C[C-]=O)OCC3.CC1=C(C[C-]=O)c2cc(F)ccc2/C1=C\c1ccc(S(C)=O)cc1.COc1ccc2c(c1)C(C[C-]=O)=CC2C(=O)c1ccc(Cl)cc1.Cc1ccc(C(=O)c2ccc(C[C-]=O)n2C)cc1.O=[C-]C1Cc2ccn(C(=O)c3ccccc3)c2C1.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C20H16FO2S.C19H14ClO3.C17H18NO2.C15H12NO2.C15H14NO2.5Y/c1-13-17(9-10-22)20-12-15(21)5-8-18(20)19(13)11-14-3-6-16(7-4-14)24(2)23;1-23-15-6-7-16-17(11-15)13(8-9-21)10-18(16)19(22)12-2-4-14(20)5-3-12;1-3-12-6-5-7-13-14-8-11-20-17(4-2,9-10-19)16(14)18-15(12)13;17-10-11-8-13-6-7-16(14(13)9-11)15(18)12-4-2-1-3-5-12;1-11-3-5-12(6-4-11)15(18)14-8-7-13(9-10-17)16(14)2;;;;;/h3-8,11-12H,9H2,1-2H3;2-7,10-11,18H,8H2,1H3;3,5-7,18H,1,4,8-9,11H2,2H3;1-7,11H,8-9H2;3-8H,9H2,1-2H3;;;;;/q5*-1;;;;;/b19-11-;;;;;;;;;
InChIKeyIVXUDTFTJFSQCT-JAPNLLRWSA-N
MW1856.60 g/mol
LogP16.30
Rot. Bonds19

About 2-[3-(4-chlorobenzoyl)-6-methoxy-3H-inden-1-yl]ethanone;2-(8-ethenyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanone;2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanone;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;pentakis(yttrium)

2-[3-(4-chlorobenzoyl)-6-methoxy-3H-inden-1-yl]ethanone;2-(8-ethenyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanone;2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanone;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;pentakis(yttrium) (PubChem CID 160841722) has the molecular formula C86H74ClFN3O11SY5-5 and a molecular weight of 1856.60 g/mol. Its IUPAC name is 2-[3-(4-chlorobenzoyl)-6-methoxy-3H-inden-1-yl]ethanone;2-(8-ethenyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanone;2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanone;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;pentakis(yttrium).

Molecular Properties

Compound Name2-[3-(4-chlorobenzoyl)-6-methoxy-3H-inden-1-yl]ethanone;2-(8-ethenyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanone;2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanone;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;pentakis(yttrium)
PubChem CID160841722
Molecular FormulaC86H74ClFN3O11SY5-5
Molecular Weight1856.60 g/mol
Exact Mass1855.00
IUPAC Name2-[3-(4-chlorobenzoyl)-6-methoxy-3H-inden-1-yl]ethanone;2-(8-ethenyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanone;2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanone;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;pentakis(yttrium)
SMILESC=Cc1cccc2c3c([nH]c12)C(CC)(C[C-]=O)OCC3.CC1=C(C[C-]=O)c2cc(F)ccc2/C1=C\c1ccc(S(C)=O)cc1.COc1ccc2c(c1)C(C[C-]=O)=CC2C(=O)c1ccc(Cl)cc1.Cc1ccc(C(=O)c2ccc(C[C-]=O)n2C)cc1.O=[C-]C1Cc2ccn(C(=O)c3ccccc3)c2C1.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C20H16FO2S.C19H14ClO3.C17H18NO2.C15H12NO2.C15H14NO2.5Y/c1-13-17(9-10-22)20-12-15(21)5-8-18(20)19(13)11-14-3-6-16(7-4-14)24(2)23;1-23-15-6-7-16-17(11-15)13(8-9-21)10-18(16)19(22)12-2-4-14(20)5-3-12;1-3-12-6-5-7-13-14-8-11-20-17(4-2,9-10-19)16(14)18-15(12)13;17-10-11-8-13-6-7-16(14(13)9-11)15(18)12-4-2-1-3-5-12;1-11-3-5-12(6-4-11)15(18)14-8-7-13(9-10-17)16(14)2;;;;;/h3-8,11-12H,9H2,1-2H3;2-7,10-11,18H,8H2,1H3;3,5-7,18H,1,4,8-9,11H2,2H3;1-7,11H,8-9H2;3-8H,9H2,1-2H3;;;;;/q5*-1;;;;;/b19-11-;;;;;;;;;
InChIKeyIVXUDTFTJFSQCT-JAPNLLRWSA-N
XLogP16.30
TPSA197.74 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001856.60
LogP ≤ 516.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-[3-(4-chlorobenzoyl)-6-methoxy-3H-inden-1-yl]ethanone;2-(8-ethenyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanone;2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanone;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;pentakis(yttrium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorobenzoyl)-6-methoxy-3H-inden-1-yl]ethanone;2-(8-ethenyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanone;2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanone;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;pentakis(yttrium)?
The IUPAC name of 2-[3-(4-chlorobenzoyl)-6-methoxy-3H-inden-1-yl]ethanone;2-(8-ethenyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanone;2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanone;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;pentakis(yttrium) (CID 160841722) is 2-[3-(4-chlorobenzoyl)-6-methoxy-3H-inden-1-yl]ethanone;2-(8-ethenyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanone;2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanone;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;pentakis(yttrium).
What is the SMILES notation for 2-[3-(4-chlorobenzoyl)-6-methoxy-3H-inden-1-yl]ethanone;2-(8-ethenyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanone;2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanone;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;pentakis(yttrium)?
The canonical SMILES for 2-[3-(4-chlorobenzoyl)-6-methoxy-3H-inden-1-yl]ethanone;2-(8-ethenyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanone;2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanone;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;pentakis(yttrium) is C=Cc1cccc2c3c([nH]c12)C(CC)(C[C-]=O)OCC3.CC1=C(C[C-]=O)c2cc(F)ccc2/C1=C\c1ccc(S(C)=O)cc1.COc1ccc2c(c1)C(C[C-]=O)=CC2C(=O)c1ccc(Cl)cc1.Cc1ccc(C(=O)c2ccc(C[C-]=O)n2C)cc1.O=[C-]C1Cc2ccn(C(=O)c3ccccc3)c2C1.[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 2-[3-(4-chlorobenzoyl)-6-methoxy-3H-inden-1-yl]ethanone;2-(8-ethenyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanone;2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanone;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;pentakis(yttrium)?
The InChIKey is IVXUDTFTJFSQCT-JAPNLLRWSA-N. The full InChI is InChI=1S/C20H16FO2S.C19H14ClO3.C17H18NO2.C15H12NO2.C15H14NO2.5Y/c1-13-17(9-10-22)20-12-15(21)5-8-18(20)19(13)11-14-3-6-16(7-4-14)24(2)23;1-23-15-6-7-16-17(11-15)13(8-9-21)10-18(16)19(22)12-2-4-14(20)5-3-12;1-3-12-6-5-7-13-14-8-11-20-17(4-2,9-10-19)16(14)18-15(12)13;17-10-11-8-13-6-7-16(14(13)9-11)15(18)12-4-2-1-3-5-12;1-11-3-5-12(6-4-11)15(18)14-8-7-13(9-10-17)16(14)2;;;;;/h3-8,11-12H,9H2,1-2H3;2-7,10-11,18H,8H2,1H3;3,5-7,18H,1,4,8-9,11H2,2H3;1-7,11H,8-9H2;3-8H,9H2,1-2H3;;;;;/q5*-1;;;;;/b19-11-;;;;;;;;;.
What are the key properties of 2-[3-(4-chlorobenzoyl)-6-methoxy-3H-inden-1-yl]ethanone;2-(8-ethenyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanone;2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanone;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;pentakis(yttrium)?
2-[3-(4-chlorobenzoyl)-6-methoxy-3H-inden-1-yl]ethanone;2-(8-ethenyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanone;2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanone;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;pentakis(yttrium) has a molecular weight of 1856.60 g/mol, XLogP of 16.30, 19 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorobenzoyl)-6-methoxy-3H-inden-1-yl]ethanone;2-(8-ethenyl-1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanone;2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanone;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;pentakis(yttrium) is sourced from PubChem (CID 160841722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).