1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-4-methylpyrrolidine-2,5-dione;ethylbenzene

C250H296N16O32 — CID 158684609

IUPAC1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-4-methylpyrrolidine-2,5-dione;ethylbenzene
SMILESCC(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1
InChIInChI=1S/C210H246N16O32.5C8H10/c1-123(125-51-35-27-36-52-125)83-149-172(188(252)212(181(149)245)116-204(20)100-134(92-196(5,6)108-204)220-158(229)69-70-159(220)230)143(127-55-39-29-40-56-127)85-151-174(190(254)214(183(151)247)118-206(22)102-136(94-198(9,10)110-206)222-162(233)73-74-163(222)234)145(129-59-43-31-44-60-129)87-153-176(192(256)216(185(153)249)120-208(24)104-138(96-200(13,14)112-208)224-166(237)77-78-167(224)238)147(131-63-47-33-48-64-131)89-155-178(194(258)218(187(155)251)122-210(26)106-140(98-202(17,18)114-210)226-170(241)81-82-171(226)242)148(132-65-49-34-50-66-132)90-154-177(193(257)217(186(154)250)121-209(25)105-139(97-201(15,16)113-209)225-168(239)79-80-169(225)240)146(130-61-45-32-46-62-130)88-152-175(191(255)215(184(152)248)119-207(23)103-137(95-199(11,12)111-207)223-164(235)75-76-165(223)236)144(128-57-41-30-42-58-128)86-150-173(189(253)213(182(150)246)117-205(21)101-135(93-197(7,8)109-205)221-160(231)71-72-161(221)232)142(126-53-37-28-38-54-126)84-141-124(2)179(243)211(180(141)244)115-203(19)99-133(91-195(3,4)107-203)219-156(227)67-68-157(219)228;5*1-2-8-6-4-3-5-7-8/h27-82,123-124,133-155,172-178H,83-122H2,1-26H3;5*3-7H,2H2,1H3
InChIKeyIFONACXQJVTDFL-UHFFFAOYSA-N
MW4037.20 g/mol
LogP38.55
Rot. Bonds60

About 1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-4-methylpyrrolidine-2,5-dione;ethylbenzene

1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-4-methylpyrrolidine-2,5-dione;ethylbenzene (PubChem CID 158684609) has the molecular formula C250H296N16O32 and a molecular weight of 4037.20 g/mol. Its IUPAC name is 1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-4-methylpyrrolidine-2,5-dione;ethylbenzene.

Molecular Properties

Compound Name1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-4-methylpyrrolidine-2,5-dione;ethylbenzene
PubChem CID158684609
Molecular FormulaC250H296N16O32
Molecular Weight4037.20 g/mol
Exact Mass4034.20
IUPAC Name1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-4-methylpyrrolidine-2,5-dione;ethylbenzene
SMILESCC(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1
InChIInChI=1S/C210H246N16O32.5C8H10/c1-123(125-51-35-27-36-52-125)83-149-172(188(252)212(181(149)245)116-204(20)100-134(92-196(5,6)108-204)220-158(229)69-70-159(220)230)143(127-55-39-29-40-56-127)85-151-174(190(254)214(183(151)247)118-206(22)102-136(94-198(9,10)110-206)222-162(233)73-74-163(222)234)145(129-59-43-31-44-60-129)87-153-176(192(256)216(185(153)249)120-208(24)104-138(96-200(13,14)112-208)224-166(237)77-78-167(224)238)147(131-63-47-33-48-64-131)89-155-178(194(258)218(187(155)251)122-210(26)106-140(98-202(17,18)114-210)226-170(241)81-82-171(226)242)148(132-65-49-34-50-66-132)90-154-177(193(257)217(186(154)250)121-209(25)105-139(97-201(15,16)113-209)225-168(239)79-80-169(225)240)146(130-61-45-32-46-62-130)88-152-175(191(255)215(184(152)248)119-207(23)103-137(95-199(11,12)111-207)223-164(235)75-76-165(223)236)144(128-57-41-30-42-58-128)86-150-173(189(253)213(182(150)246)117-205(21)101-135(93-197(7,8)109-205)221-160(231)71-72-161(221)232)142(126-53-37-28-38-54-126)84-141-124(2)179(243)211(180(141)244)115-203(19)99-133(91-195(3,4)107-203)219-156(227)67-68-157(219)228;5*1-2-8-6-4-3-5-7-8/h27-82,123-124,133-155,172-178H,83-122H2,1-26H3;5*3-7H,2H2,1H3
InChIKeyIFONACXQJVTDFL-UHFFFAOYSA-N
XLogP38.55
TPSA598.08 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds60
Heavy Atoms298
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004037.20
LogP ≤ 538.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-4-methylpyrrolidine-2,5-dione;ethylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-4-methylpyrrolidine-2,5-dione;ethylbenzene?
The IUPAC name of 1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-4-methylpyrrolidine-2,5-dione;ethylbenzene (CID 158684609) is 1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-4-methylpyrrolidine-2,5-dione;ethylbenzene.
What is the SMILES notation for 1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-4-methylpyrrolidine-2,5-dione;ethylbenzene?
The canonical SMILES for 1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-4-methylpyrrolidine-2,5-dione;ethylbenzene is CC(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.
What is the InChIKey of 1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-4-methylpyrrolidine-2,5-dione;ethylbenzene?
The InChIKey is IFONACXQJVTDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C210H246N16O32.5C8H10/c1-123(125-51-35-27-36-52-125)83-149-172(188(252)212(181(149)245)116-204(20)100-134(92-196(5,6)108-204)220-158(229)69-70-159(220)230)143(127-55-39-29-40-56-127)85-151-174(190(254)214(183(151)247)118-206(22)102-136(94-198(9,10)110-206)222-162(233)73-74-163(222)234)145(129-59-43-31-44-60-129)87-153-176(192(256)216(185(153)249)120-208(24)104-138(96-200(13,14)112-208)224-166(237)77-78-167(224)238)147(131-63-47-33-48-64-131)89-155-178(194(258)218(187(155)251)122-210(26)106-140(98-202(17,18)114-210)226-170(241)81-82-171(226)242)148(132-65-49-34-50-66-132)90-154-177(193(257)217(186(154)250)121-209(25)105-139(97-201(15,16)113-209)225-168(239)79-80-169(225)240)146(130-61-45-32-46-62-130)88-152-175(191(255)215(184(152)248)119-207(23)103-137(95-199(11,12)111-207)223-164(235)75-76-165(223)236)144(128-57-41-30-42-58-128)86-150-173(189(253)213(182(150)246)117-205(21)101-135(93-197(7,8)109-205)221-160(231)71-72-161(221)232)142(126-53-37-28-38-54-126)84-141-124(2)179(243)211(180(141)244)115-203(19)99-133(91-195(3,4)107-203)219-156(227)67-68-157(219)228;5*1-2-8-6-4-3-5-7-8/h27-82,123-124,133-155,172-178H,83-122H2,1-26H3;5*3-7H,2H2,1H3.
What are the key properties of 1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-4-methylpyrrolidine-2,5-dione;ethylbenzene?
1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-4-methylpyrrolidine-2,5-dione;ethylbenzene has a molecular weight of 4037.20 g/mol, XLogP of 38.55, 60 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-4-[2-[1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-2,5-dioxo-4-(2-phenylpropyl)pyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-2,5-dioxopyrrolidin-3-yl]-2-phenylethyl]-4-methylpyrrolidine-2,5-dione;ethylbenzene is sourced from PubChem (CID 158684609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).