hexakis(1-[3-[[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]methyl]-3,5,5-trimethylcyclohexyl]pyrrole-2,5-dione);1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(2,4,6,8,10,12-hexakis-phenyltridecyl)-4-(1-phenylethyl)pyrrolidine-2,5-dione;1-[3,3,5-trimethyl-5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione

C250H300N16O32 — CID 158922998

IUPAChexakis(1-[3-[[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]methyl]-3,5,5-trimethylcyclohexyl]pyrrole-2,5-dione);1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(2,4,6,8,10,12-hexakis-phenyltridecyl)-4-(1-phenylethyl)pyrrolidine-2,5-dione;1-[3,3,5-trimethyl-5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione
SMILESCC(CC(CC(CC(CC(CC(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.CC(c1ccccc1)C1CC(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C1=O.CC(c1ccccc1)C1CC(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C1=O.CC(c1ccccc1)C1CC(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C1=O.CC(c1ccccc1)C1CC(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C1=O.CC(c1ccccc1)C1CC(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C1=O.CC(c1ccccc1)C1CC(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C1=O.CC1CC(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C1=O
InChIInChI=1S/C75H82N2O4.6C26H32N2O4.C19H26N2O4/c1-53(55-27-13-6-14-28-55)43-62(57-31-17-8-18-32-57)44-63(58-33-19-9-20-34-58)45-64(59-35-21-10-22-36-59)46-65(60-37-23-11-24-38-60)47-66(61-39-25-12-26-40-61)48-68-71(54(2)56-29-15-7-16-30-56)73(81)76(72(68)80)52-75(5)50-67(49-74(3,4)51-75)77-69(78)41-42-70(77)79;6*1-17(18-8-6-5-7-9-18)20-12-23(31)27(24(20)32)16-26(4)14-19(13-25(2,3)15-26)28-21(29)10-11-22(28)30;1-12-7-16(24)20(17(12)25)11-19(4)9-13(8-18(2,3)10-19)21-14(22)5-6-15(21)23/h6-42,53-54,62-68,71H,43-52H2,1-5H3;6*5-11,17,19-20H,12-16H2,1-4H3;5-6,12-13H,7-11H2,1-4H3
InChIKeyJIBOWRVYTSOBOC-UHFFFAOYSA-N
MW4041.23 g/mol
LogP40.91
Rot. Bonds56

About hexakis(1-[3-[[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]methyl]-3,5,5-trimethylcyclohexyl]pyrrole-2,5-dione);1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(2,4,6,8,10,12-hexakis-phenyltridecyl)-4-(1-phenylethyl)pyrrolidine-2,5-dione;1-[3,3,5-trimethyl-5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione

hexakis(1-[3-[[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]methyl]-3,5,5-trimethylcyclohexyl]pyrrole-2,5-dione);1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(2,4,6,8,10,12-hexakis-phenyltridecyl)-4-(1-phenylethyl)pyrrolidine-2,5-dione;1-[3,3,5-trimethyl-5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione (PubChem CID 158922998) has the molecular formula C250H300N16O32 and a molecular weight of 4041.23 g/mol. Its IUPAC name is hexakis(1-[3-[[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]methyl]-3,5,5-trimethylcyclohexyl]pyrrole-2,5-dione);1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(2,4,6,8,10,12-hexakis-phenyltridecyl)-4-(1-phenylethyl)pyrrolidine-2,5-dione;1-[3,3,5-trimethyl-5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Namehexakis(1-[3-[[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]methyl]-3,5,5-trimethylcyclohexyl]pyrrole-2,5-dione);1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(2,4,6,8,10,12-hexakis-phenyltridecyl)-4-(1-phenylethyl)pyrrolidine-2,5-dione;1-[3,3,5-trimethyl-5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione
PubChem CID158922998
Molecular FormulaC250H300N16O32
Molecular Weight4041.23 g/mol
Exact Mass4038.23
IUPAC Namehexakis(1-[3-[[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]methyl]-3,5,5-trimethylcyclohexyl]pyrrole-2,5-dione);1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(2,4,6,8,10,12-hexakis-phenyltridecyl)-4-(1-phenylethyl)pyrrolidine-2,5-dione;1-[3,3,5-trimethyl-5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione
SMILESCC(CC(CC(CC(CC(CC(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.CC(c1ccccc1)C1CC(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C1=O.CC(c1ccccc1)C1CC(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C1=O.CC(c1ccccc1)C1CC(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C1=O.CC(c1ccccc1)C1CC(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C1=O.CC(c1ccccc1)C1CC(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C1=O.CC(c1ccccc1)C1CC(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C1=O.CC1CC(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C1=O
InChIInChI=1S/C75H82N2O4.6C26H32N2O4.C19H26N2O4/c1-53(55-27-13-6-14-28-55)43-62(57-31-17-8-18-32-57)44-63(58-33-19-9-20-34-58)45-64(59-35-21-10-22-36-59)46-65(60-37-23-11-24-38-60)47-66(61-39-25-12-26-40-61)48-68-71(54(2)56-29-15-7-16-30-56)73(81)76(72(68)80)52-75(5)50-67(49-74(3,4)51-75)77-69(78)41-42-70(77)79;6*1-17(18-8-6-5-7-9-18)20-12-23(31)27(24(20)32)16-26(4)14-19(13-25(2,3)15-26)28-21(29)10-11-22(28)30;1-12-7-16(24)20(17(12)25)11-19(4)9-13(8-18(2,3)10-19)21-14(22)5-6-15(21)23/h6-42,53-54,62-68,71H,43-52H2,1-5H3;6*5-11,17,19-20H,12-16H2,1-4H3;5-6,12-13H,7-11H2,1-4H3
InChIKeyJIBOWRVYTSOBOC-UHFFFAOYSA-N
XLogP40.91
TPSA598.08 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds56
Heavy Atoms298
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004041.23
LogP ≤ 540.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze hexakis(1-[3-[[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]methyl]-3,5,5-trimethylcyclohexyl]pyrrole-2,5-dione);1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(2,4,6,8,10,12-hexakis-phenyltridecyl)-4-(1-phenylethyl)pyrrolidine-2,5-dione;1-[3,3,5-trimethyl-5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexakis(1-[3-[[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]methyl]-3,5,5-trimethylcyclohexyl]pyrrole-2,5-dione);1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(2,4,6,8,10,12-hexakis-phenyltridecyl)-4-(1-phenylethyl)pyrrolidine-2,5-dione;1-[3,3,5-trimethyl-5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione?
The IUPAC name of hexakis(1-[3-[[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]methyl]-3,5,5-trimethylcyclohexyl]pyrrole-2,5-dione);1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(2,4,6,8,10,12-hexakis-phenyltridecyl)-4-(1-phenylethyl)pyrrolidine-2,5-dione;1-[3,3,5-trimethyl-5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione (CID 158922998) is hexakis(1-[3-[[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]methyl]-3,5,5-trimethylcyclohexyl]pyrrole-2,5-dione);1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(2,4,6,8,10,12-hexakis-phenyltridecyl)-4-(1-phenylethyl)pyrrolidine-2,5-dione;1-[3,3,5-trimethyl-5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione.
What is the SMILES notation for hexakis(1-[3-[[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]methyl]-3,5,5-trimethylcyclohexyl]pyrrole-2,5-dione);1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(2,4,6,8,10,12-hexakis-phenyltridecyl)-4-(1-phenylethyl)pyrrolidine-2,5-dione;1-[3,3,5-trimethyl-5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione?
The canonical SMILES for hexakis(1-[3-[[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]methyl]-3,5,5-trimethylcyclohexyl]pyrrole-2,5-dione);1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(2,4,6,8,10,12-hexakis-phenyltridecyl)-4-(1-phenylethyl)pyrrolidine-2,5-dione;1-[3,3,5-trimethyl-5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione is CC(CC(CC(CC(CC(CC(CC1C(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C(=O)C1C(C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.CC(c1ccccc1)C1CC(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C1=O.CC(c1ccccc1)C1CC(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C1=O.CC(c1ccccc1)C1CC(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C1=O.CC(c1ccccc1)C1CC(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C1=O.CC(c1ccccc1)C1CC(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C1=O.CC(c1ccccc1)C1CC(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C1=O.CC1CC(=O)N(CC2(C)CC(N3C(=O)C=CC3=O)CC(C)(C)C2)C1=O.
What is the InChIKey of hexakis(1-[3-[[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]methyl]-3,5,5-trimethylcyclohexyl]pyrrole-2,5-dione);1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(2,4,6,8,10,12-hexakis-phenyltridecyl)-4-(1-phenylethyl)pyrrolidine-2,5-dione;1-[3,3,5-trimethyl-5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione?
The InChIKey is JIBOWRVYTSOBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H82N2O4.6C26H32N2O4.C19H26N2O4/c1-53(55-27-13-6-14-28-55)43-62(57-31-17-8-18-32-57)44-63(58-33-19-9-20-34-58)45-64(59-35-21-10-22-36-59)46-65(60-37-23-11-24-38-60)47-66(61-39-25-12-26-40-61)48-68-71(54(2)56-29-15-7-16-30-56)73(81)76(72(68)80)52-75(5)50-67(49-74(3,4)51-75)77-69(78)41-42-70(77)79;6*1-17(18-8-6-5-7-9-18)20-12-23(31)27(24(20)32)16-26(4)14-19(13-25(2,3)15-26)28-21(29)10-11-22(28)30;1-12-7-16(24)20(17(12)25)11-19(4)9-13(8-18(2,3)10-19)21-14(22)5-6-15(21)23/h6-42,53-54,62-68,71H,43-52H2,1-5H3;6*5-11,17,19-20H,12-16H2,1-4H3;5-6,12-13H,7-11H2,1-4H3.
What are the key properties of hexakis(1-[3-[[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]methyl]-3,5,5-trimethylcyclohexyl]pyrrole-2,5-dione);1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(2,4,6,8,10,12-hexakis-phenyltridecyl)-4-(1-phenylethyl)pyrrolidine-2,5-dione;1-[3,3,5-trimethyl-5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione?
hexakis(1-[3-[[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]methyl]-3,5,5-trimethylcyclohexyl]pyrrole-2,5-dione);1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(2,4,6,8,10,12-hexakis-phenyltridecyl)-4-(1-phenylethyl)pyrrolidine-2,5-dione;1-[3,3,5-trimethyl-5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione has a molecular weight of 4041.23 g/mol, XLogP of 40.91, 56 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(1-[3-[[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]methyl]-3,5,5-trimethylcyclohexyl]pyrrole-2,5-dione);1-[[5-(2,5-dioxopyrrol-1-yl)-1,3,3-trimethylcyclohexyl]methyl]-3-(2,4,6,8,10,12-hexakis-phenyltridecyl)-4-(1-phenylethyl)pyrrolidine-2,5-dione;1-[3,3,5-trimethyl-5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexyl]pyrrole-2,5-dione is sourced from PubChem (CID 158922998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).