6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[6-[1-[6-[1-[6-[6-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-6-oxohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide;8-[4-hexyl-3-octyl-2-[8-(3-sulfanylpropanoyloxy)octyl]cyclohexyl]octyl 3-sulfanylpropanoate

C261H196N14O30S2 — CID 157437608

About 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[6-[1-[6-[1-[6-[6-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-6-oxohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide;8-[4-hexyl-3-octyl-2-[8-(3-sulfanylpropanoyloxy)octyl]cyclohexyl]octyl 3-sulfanylpropanoate

6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[6-[1-[6-[1-[6-[6-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-6-oxohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide;8-[4-hexyl-3-octyl-2-[8-(3-sulfanylpropanoyloxy)octyl]cyclohexyl]octyl 3-sulfanylpropanoate (PubChem CID 157437608) has the molecular formula C261H196N14O30S2 and a molecular weight of 4072.64 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[6-[1-[6-[1-[6-[6-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-6-oxohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide;8-[4-hexyl-3-octyl-2-[8-(3-sulfanylpropanoyloxy)octyl]cyclohexyl]octyl 3-sulfanylpropanoate.

Molecular Properties

• Compound Name: 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[6-[1-[6-[1-[6-[6-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-6-oxohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide;8-[4-hexyl-3-octyl-2-[8-(3-sulfanylpropanoyloxy)octyl]cyclohexyl]octyl 3-sulfanylpropanoate
• PubChem CID: 157437608
• Molecular Formula: C261H196N14O30S2
• Molecular Weight: 4072.64 g/mol
• Exact Mass: 4069.37
• IUPAC Name: 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[6-[1-[6-[1-[6-[6-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-6-oxohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide;8-[4-hexyl-3-octyl-2-[8-(3-sulfanylpropanoyloxy)octyl]cyclohexyl]octyl 3-sulfanylpropanoate
• SMILES: C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(N1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc6c(c5)C(=O)N(CCCCCC(=O)NCC(C)(C)CC(C)CCNC(=O)CCCCCN5C(=O)C=CC5=O)C6=O)cc4)cc3)cc2C1=O)n1c(=O)c2cc3c(=O)n(C(=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C)n4c(=O)c5cc6c(=O)n(C(=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C)n7c(=O)c8cc9c(=O)n(CCCCCC(=O)NCC(C)(C)CC(C)CCNC(=O)CCCCCN%10C(=O)C=CC%10=O)c(=O)c9cc8c7=O)c(=O)c6cc5c4=O)c(=O)c3cc2c1=O.CCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCOC(=O)CCS)C1CCCCCCCCOC(=O)CCS
• InChI: InChI=1S/C219H116N14O26.C42H80O4S2/c1-12-15-18-21-24-27-30-33-36-39-42-45-48-51-54-57-60-63-66-69-72-75-78-81-84-87-90-93-96-99-102-105-116-127-194(228-205(246)175-141-139-173(155-177(175)206(228)247)259-171-136-132-169(133-137-171)219(10,11)168-130-134-170(135-131-168)258-172-138-140-174-176(154-172)202(243)226(201(174)242)152-121-110-114-125-192(236)222-164-217(6,7)162-166(4)146-148-220-190(234)123-112-108-119-150-224-197(238)142-143-198(224)239)229-209(250)182-158-184-185(159-183(182)210(229)251)214(255)232(213(184)254)196(129-118-107-104-101-98-95-92-89-86-83-80-77-74-71-68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-3)233-215(256)188-160-186-187(161-189(188)216(233)257)212(253)231(211(186)252)195(128-117-106-103-100-97-94-91-88-85-82-79-76-73-70-67-64-61-58-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-2)230-207(248)180-156-178-179(157-181(180)208(230)249)204(245)227(203(178)244)153-122-111-115-126-193(237)223-165-218(8,9)163-167(5)147-149-221-191(235)124-113-109-120-151-225-199(240)144-145-200(225)241;1-3-5-7-9-15-21-27-39-37(25-19-8-6-4-2)29-30-38(26-20-14-10-12-17-23-33-45-41(43)31-35-47)40(39)28-22-16-11-13-18-24-34-46-42(44)32-36-48/h130-145,154-161,166-167H,1-3,108-115,119-126,146-153,162-165H2,4-11H3,(H,220,234)(H,221,235)(H,222,236)(H,223,237);37-40,47-48H,3-36H2,1-2H3
• InChIKey: BRHFTGMJKLYVJG-UHFFFAOYSA-N
• XLogP: 38.60
• TPSA: 571.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 84
• Heavy Atoms: 307
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4072.64
LogP ≤ 5	38.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[6-[1-[6-[1-[6-[6-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-6-oxohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide;8-[4-hexyl-3-octyl-2-[8-(3-sulfanylpropanoyloxy)octyl]cyclohexyl]octyl 3-sulfanylpropanoate?

The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[6-[1-[6-[1-[6-[6-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-6-oxohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide;8-[4-hexyl-3-octyl-2-[8-(3-sulfanylpropanoyloxy)octyl]cyclohexyl]octyl 3-sulfanylpropanoate (CID 157437608) is 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[6-[1-[6-[1-[6-[6-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-6-oxohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide;8-[4-hexyl-3-octyl-2-[8-(3-sulfanylpropanoyloxy)octyl]cyclohexyl]octyl 3-sulfanylpropanoate.

What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[6-[1-[6-[1-[6-[6-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-6-oxohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide;8-[4-hexyl-3-octyl-2-[8-(3-sulfanylpropanoyloxy)octyl]cyclohexyl]octyl 3-sulfanylpropanoate?

The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[6-[1-[6-[1-[6-[6-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-6-oxohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide;8-[4-hexyl-3-octyl-2-[8-(3-sulfanylpropanoyloxy)octyl]cyclohexyl]octyl 3-sulfanylpropanoate is C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C(N1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc6c(c5)C(=O)N(CCCCCC(=O)NCC(C)(C)CC(C)CCNC(=O)CCCCCN5C(=O)C=CC5=O)C6=O)cc4)cc3)cc2C1=O)n1c(=O)c2cc3c(=O)n(C(=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C)n4c(=O)c5cc6c(=O)n(C(=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C=C)n7c(=O)c8cc9c(=O)n(CCCCCC(=O)NCC(C)(C)CC(C)CCNC(=O)CCCCCN%10C(=O)C=CC%10=O)c(=O)c9cc8c7=O)c(=O)c6cc5c4=O)c(=O)c3cc2c1=O.CCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCOC(=O)CCS)C1CCCCCCCCOC(=O)CCS.

What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[6-[1-[6-[1-[6-[6-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-6-oxohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide;8-[4-hexyl-3-octyl-2-[8-(3-sulfanylpropanoyloxy)octyl]cyclohexyl]octyl 3-sulfanylpropanoate?

The InChIKey is BRHFTGMJKLYVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C219H116N14O26.C42H80O4S2/c1-12-15-18-21-24-27-30-33-36-39-42-45-48-51-54-57-60-63-66-69-72-75-78-81-84-87-90-93-96-99-102-105-116-127-194(228-205(246)175-141-139-173(155-177(175)206(228)247)259-171-136-132-169(133-137-171)219(10,11)168-130-134-170(135-131-168)258-172-138-140-174-176(154-172)202(243)226(201(174)242)152-121-110-114-125-192(236)222-164-217(6,7)162-166(4)146-148-220-190(234)123-112-108-119-150-224-197(238)142-143-198(224)239)229-209(250)182-158-184-185(159-183(182)210(229)251)214(255)232(213(184)254)196(129-118-107-104-101-98-95-92-89-86-83-80-77-74-71-68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-3)233-215(256)188-160-186-187(161-189(188)216(233)257)212(253)231(211(186)252)195(128-117-106-103-100-97-94-91-88-85-82-79-76-73-70-67-64-61-58-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-2)230-207(248)180-156-178-179(157-181(180)208(230)249)204(245)227(203(178)244)153-122-111-115-126-193(237)223-165-218(8,9)163-167(5)147-149-221-191(235)124-113-109-120-151-225-199(240)144-145-200(225)241;1-3-5-7-9-15-21-27-39-37(25-19-8-6-4-2)29-30-38(26-20-14-10-12-17-23-33-45-41(43)31-35-47)40(39)28-22-16-11-13-18-24-34-46-42(44)32-36-48/h130-145,154-161,166-167H,1-3,108-115,119-126,146-153,162-165H2,4-11H3,(H,220,234)(H,221,235)(H,222,236)(H,223,237);37-40,47-48H,3-36H2,1-2H3.

What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[6-[1-[6-[1-[6-[6-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-6-oxohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide;8-[4-hexyl-3-octyl-2-[8-(3-sulfanylpropanoyloxy)octyl]cyclohexyl]octyl 3-sulfanylpropanoate?

6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[6-[1-[6-[1-[6-[6-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-6-oxohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide;8-[4-hexyl-3-octyl-2-[8-(3-sulfanylpropanoyloxy)octyl]cyclohexyl]octyl 3-sulfanylpropanoate has a molecular weight of 4072.64 g/mol, XLogP of 38.60, 84 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,5-dioxopyrrol-1-yl)-N-[6-[6-[5-[4-[2-[4-[2-[1-[6-[1-[6-[1-[6-[6-[[6-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,2,4-trimethylhexyl]amino]-6-oxohexyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]hexatriaconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35-pentatriacontaenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]-1,3-dioxoisoindol-2-yl]hexanoylamino]-3,5,5-trimethylhexyl]hexanamide;8-[4-hexyl-3-octyl-2-[8-(3-sulfanylpropanoyloxy)octyl]cyclohexyl]octyl 3-sulfanylpropanoate is sourced from PubChem (CID 157437608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).