2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]ethanone;2-(1,8-diethyl-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-(6-methoxynaphthalen-2-yl)propan-1-one;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;hexakis(yttrium)

C99H88ClFN4O13SY6-6 — CID 158894095

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]ethanone;2-(1,8-diethyl-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-(6-methoxynaphthalen-2-yl)propan-1-one;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;hexakis(yttrium)
SMILESCC1=C(C[C-]=O)c2cc(F)ccc2/C1=C\c1ccc(S(C)=O)cc1.CCc1cccc2c3c([nH]c12)C(CC)(C[C-]=O)OCC3.COc1ccc2c(c1)c(C[C-]=O)cn2C(=O)c1ccc(Cl)cc1.COc1ccc2cc(C(C)[C-]=O)ccc2c1.Cc1ccc(C(=O)c2ccc(C[C-]=O)n2C)cc1.O=[C-]C1Cc2ccn(C(=O)c3ccccc3)c2C1.[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C20H16FO2S.C18H13ClNO3.C17H20NO2.C15H12NO2.C15H14NO2.C14H13O2.6Y/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;1-23-15-6-7-17-16(10-15)13(8-9-21)11-20(17)18(22)12-2-4-14(19)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;1-10(9-15)11-3-4-13-8-14(16-2)6-5-12(13)7-11;;;;;;/h3-8,11-12H,9H2,1-2H3;2-7,10-11H,8H2,1H3;5-7,18H,3-4,8-9,11H2,1-2H3;1-7,11H,8-9H2;3-8H,9H2,1-2H3;3-8,10H,1-2H3;;;;;;/q6*-1;;;;;;/b19-11-;;;;;;;;;;;
InChIKeyJPPWBUNIZPENGJ-VCDJLZOQSA-N
MW2161.76 g/mol
LogP18.71
Rot. Bonds21

About 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]ethanone;2-(1,8-diethyl-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-(6-methoxynaphthalen-2-yl)propan-1-one;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;hexakis(yttrium)

2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]ethanone;2-(1,8-diethyl-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-(6-methoxynaphthalen-2-yl)propan-1-one;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;hexakis(yttrium) (PubChem CID 158894095) has the molecular formula C99H88ClFN4O13SY6-6 and a molecular weight of 2161.76 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]ethanone;2-(1,8-diethyl-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-(6-methoxynaphthalen-2-yl)propan-1-one;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;hexakis(yttrium).

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]ethanone;2-(1,8-diethyl-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-(6-methoxynaphthalen-2-yl)propan-1-one;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;hexakis(yttrium)
PubChem CID158894095
Molecular FormulaC99H88ClFN4O13SY6-6
Molecular Weight2161.76 g/mol
Exact Mass2160.01
IUPAC Name2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]ethanone;2-(1,8-diethyl-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-(6-methoxynaphthalen-2-yl)propan-1-one;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;hexakis(yttrium)
SMILESCC1=C(C[C-]=O)c2cc(F)ccc2/C1=C\c1ccc(S(C)=O)cc1.CCc1cccc2c3c([nH]c12)C(CC)(C[C-]=O)OCC3.COc1ccc2c(c1)c(C[C-]=O)cn2C(=O)c1ccc(Cl)cc1.COc1ccc2cc(C(C)[C-]=O)ccc2c1.Cc1ccc(C(=O)c2ccc(C[C-]=O)n2C)cc1.O=[C-]C1Cc2ccn(C(=O)c3ccccc3)c2C1.[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C20H16FO2S.C18H13ClNO3.C17H20NO2.C15H12NO2.C15H14NO2.C14H13O2.6Y/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;1-23-15-6-7-17-16(10-15)13(8-9-21)11-20(17)18(22)12-2-4-14(19)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;1-10(9-15)11-3-4-13-8-14(16-2)6-5-12(13)7-11;;;;;;/h3-8,11-12H,9H2,1-2H3;2-7,10-11H,8H2,1H3;5-7,18H,3-4,8-9,11H2,1-2H3;1-7,11H,8-9H2;3-8H,9H2,1-2H3;3-8,10H,1-2H3;;;;;;/q6*-1;;;;;;/b19-11-;;;;;;;;;;;
InChIKeyJPPWBUNIZPENGJ-VCDJLZOQSA-N
XLogP18.71
TPSA228.97 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002161.76
LogP ≤ 518.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]ethanone;2-(1,8-diethyl-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-(6-methoxynaphthalen-2-yl)propan-1-one;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;hexakis(yttrium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]ethanone;2-(1,8-diethyl-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-(6-methoxynaphthalen-2-yl)propan-1-one;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;hexakis(yttrium)?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]ethanone;2-(1,8-diethyl-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-(6-methoxynaphthalen-2-yl)propan-1-one;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;hexakis(yttrium) (CID 158894095) is 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]ethanone;2-(1,8-diethyl-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-(6-methoxynaphthalen-2-yl)propan-1-one;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;hexakis(yttrium).
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]ethanone;2-(1,8-diethyl-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-(6-methoxynaphthalen-2-yl)propan-1-one;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;hexakis(yttrium)?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]ethanone;2-(1,8-diethyl-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-(6-methoxynaphthalen-2-yl)propan-1-one;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;hexakis(yttrium) is CC1=C(C[C-]=O)c2cc(F)ccc2/C1=C\c1ccc(S(C)=O)cc1.CCc1cccc2c3c([nH]c12)C(CC)(C[C-]=O)OCC3.COc1ccc2c(c1)c(C[C-]=O)cn2C(=O)c1ccc(Cl)cc1.COc1ccc2cc(C(C)[C-]=O)ccc2c1.Cc1ccc(C(=O)c2ccc(C[C-]=O)n2C)cc1.O=[C-]C1Cc2ccn(C(=O)c3ccccc3)c2C1.[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]ethanone;2-(1,8-diethyl-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-(6-methoxynaphthalen-2-yl)propan-1-one;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;hexakis(yttrium)?
The InChIKey is JPPWBUNIZPENGJ-VCDJLZOQSA-N. The full InChI is InChI=1S/C20H16FO2S.C18H13ClNO3.C17H20NO2.C15H12NO2.C15H14NO2.C14H13O2.6Y/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;1-23-15-6-7-17-16(10-15)13(8-9-21)11-20(17)18(22)12-2-4-14(19)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;1-10(9-15)11-3-4-13-8-14(16-2)6-5-12(13)7-11;;;;;;/h3-8,11-12H,9H2,1-2H3;2-7,10-11H,8H2,1H3;5-7,18H,3-4,8-9,11H2,1-2H3;1-7,11H,8-9H2;3-8H,9H2,1-2H3;3-8,10H,1-2H3;;;;;;/q6*-1;;;;;;/b19-11-;;;;;;;;;;;.
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]ethanone;2-(1,8-diethyl-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-(6-methoxynaphthalen-2-yl)propan-1-one;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;hexakis(yttrium)?
2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]ethanone;2-(1,8-diethyl-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-(6-methoxynaphthalen-2-yl)propan-1-one;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;hexakis(yttrium) has a molecular weight of 2161.76 g/mol, XLogP of 18.71, 21 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]ethanone;2-(1,8-diethyl-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-(6-methoxynaphthalen-2-yl)propan-1-one;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]ethanone;[5-(oxomethyl)-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl]-phenylmethanone;hexakis(yttrium) is sourced from PubChem (CID 158894095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).