[4-[9-[4-[2-[3-[4-[3-[4-[3-[5-[4-[9-[4-[2-[1-(2,5-dioxopyrrol-1-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-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenoxy]carbonyl-1,3-dioxoisoindol-2-yl]propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenyl] 2-[3-[4-[3-[4-[3-(2,5-dioxopyrrol-1-yl)propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carboxylate

C186H118N6O24 — CID 170659607

About [4-[9-[4-[2-[3-[4-[3-[4-[3-[5-[4-[9-[4-[2-[1-(2,5-dioxopyrrol-1-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-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenoxy]carbonyl-1,3-dioxoisoindol-2-yl]propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenyl] 2-[3-[4-[3-[4-[3-(2,5-dioxopyrrol-1-yl)propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carboxylate

[4-[9-[4-[2-[3-[4-[3-[4-[3-[5-[4-[9-[4-[2-[1-(2,5-dioxopyrrol-1-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-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenoxy]carbonyl-1,3-dioxoisoindol-2-yl]propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenyl] 2-[3-[4-[3-[4-[3-(2,5-dioxopyrrol-1-yl)propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carboxylate (PubChem CID 170659607) has the molecular formula C186H118N6O24 and a molecular weight of 2821.01 g/mol. Its IUPAC name is [4-[9-[4-[2-[3-[4-[3-[4-[3-[5-[4-[9-[4-[2-[1-(2,5-dioxopyrrol-1-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-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenoxy]carbonyl-1,3-dioxoisoindol-2-yl]propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenyl] 2-[3-[4-[3-[4-[3-(2,5-dioxopyrrol-1-yl)propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

• Compound Name: [4-[9-[4-[2-[3-[4-[3-[4-[3-[5-[4-[9-[4-[2-[1-(2,5-dioxopyrrol-1-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-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenoxy]carbonyl-1,3-dioxoisoindol-2-yl]propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenyl] 2-[3-[4-[3-[4-[3-(2,5-dioxopyrrol-1-yl)propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carboxylate
• PubChem CID: 170659607
• Molecular Formula: C186H118N6O24
• Molecular Weight: 2821.01 g/mol
• Exact Mass: 2818.82
• IUPAC Name: [4-[9-[4-[2-[3-[4-[3-[4-[3-[5-[4-[9-[4-[2-[1-(2,5-dioxopyrrol-1-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-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenoxy]carbonyl-1,3-dioxoisoindol-2-yl]propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenyl] 2-[3-[4-[3-[4-[3-(2,5-dioxopyrrol-1-yl)propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carboxylate
• 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)C=CC1=O)N1C(=O)c2ccc(C(=O)Oc3ccc(C4(c5ccc(OC(=O)c6ccc7c(c6)C(=O)N(CCCOc6ccc(C89CC%10CC(CC(c%11ccc(OCCCN%12C(=O)c%13ccc(C(=O)Oc%14ccc(C%15(c%16ccc(OC(=O)c%17ccc%18c(c%17)C(=O)N(CCCOc%17ccc(C%19%20CC%21CC(CC(c%22ccc(OCCCN%23C(=O)C=CC%23=O)cc%22)(C%21)C%19)C%20)cc%17)C%18=O)cc%16)c%16ccccc%16-c%16ccccc%16%15)cc%14)cc%13C%12=O)cc%11)(C%10)C8)C9)cc6)C7=O)cc5)c5ccccc5-c5ccccc54)cc3)cc2C1=O
• InChI: InChI=1S/C186H118N6O24/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-55-164(191-167(195)98-99-168(191)196)192-175(203)155-95-59-131(113-159(155)176(192)204)180(208)216-147-90-74-139(75-91-147)186(162-53-41-37-49-150(162)151-50-38-42-54-163(151)186)138-72-88-146(89-73-138)215-179(207)130-58-94-154-158(112-130)174(202)190(171(154)199)103-46-107-212-143-82-66-135(67-83-143)184-120-126-109-127(121-184)119-183(118-126,123-184)134-64-80-142(81-65-134)211-106-45-102-189-170(198)153-93-57-129(111-157(153)173(189)201)178(206)214-145-86-70-137(71-87-145)185(160-51-39-35-47-148(160)149-48-36-40-52-161(149)185)136-68-84-144(85-69-136)213-177(205)128-56-92-152-156(110-128)172(200)188(169(152)197)101-44-105-210-141-78-62-133(63-79-141)182-116-124-108-125(117-182)115-181(114-124,122-182)132-60-76-140(77-61-132)209-104-43-100-187-165(193)96-97-166(187)194/h35-42,47-54,56-99,110-113,124-127H,1,43-46,100-109,114-123H2
• InChIKey: WIAMWYPVPRRHAZ-UHFFFAOYSA-N
• XLogP: 30.02
• TPSA: 366.40 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 38
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2821.01
LogP ≤ 5	30.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[9-[4-[2-[3-[4-[3-[4-[3-[5-[4-[9-[4-[2-[1-(2,5-dioxopyrrol-1-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-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenoxy]carbonyl-1,3-dioxoisoindol-2-yl]propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenyl] 2-[3-[4-[3-[4-[3-(2,5-dioxopyrrol-1-yl)propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carboxylate?

The IUPAC name of [4-[9-[4-[2-[3-[4-[3-[4-[3-[5-[4-[9-[4-[2-[1-(2,5-dioxopyrrol-1-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-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenoxy]carbonyl-1,3-dioxoisoindol-2-yl]propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenyl] 2-[3-[4-[3-[4-[3-(2,5-dioxopyrrol-1-yl)propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carboxylate (CID 170659607) is [4-[9-[4-[2-[3-[4-[3-[4-[3-[5-[4-[9-[4-[2-[1-(2,5-dioxopyrrol-1-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-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenoxy]carbonyl-1,3-dioxoisoindol-2-yl]propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenyl] 2-[3-[4-[3-[4-[3-(2,5-dioxopyrrol-1-yl)propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carboxylate.

What is the SMILES notation for [4-[9-[4-[2-[3-[4-[3-[4-[3-[5-[4-[9-[4-[2-[1-(2,5-dioxopyrrol-1-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-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenoxy]carbonyl-1,3-dioxoisoindol-2-yl]propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenyl] 2-[3-[4-[3-[4-[3-(2,5-dioxopyrrol-1-yl)propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carboxylate?

The canonical SMILES for [4-[9-[4-[2-[3-[4-[3-[4-[3-[5-[4-[9-[4-[2-[1-(2,5-dioxopyrrol-1-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-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenoxy]carbonyl-1,3-dioxoisoindol-2-yl]propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenyl] 2-[3-[4-[3-[4-[3-(2,5-dioxopyrrol-1-yl)propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carboxylate 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)C=CC1=O)N1C(=O)c2ccc(C(=O)Oc3ccc(C4(c5ccc(OC(=O)c6ccc7c(c6)C(=O)N(CCCOc6ccc(C89CC%10CC(CC(c%11ccc(OCCCN%12C(=O)c%13ccc(C(=O)Oc%14ccc(C%15(c%16ccc(OC(=O)c%17ccc%18c(c%17)C(=O)N(CCCOc%17ccc(C%19%20CC%21CC(CC(c%22ccc(OCCCN%23C(=O)C=CC%23=O)cc%22)(C%21)C%19)C%20)cc%17)C%18=O)cc%16)c%16ccccc%16-c%16ccccc%16%15)cc%14)cc%13C%12=O)cc%11)(C%10)C8)C9)cc6)C7=O)cc5)c5ccccc5-c5ccccc54)cc3)cc2C1=O.

What is the InChIKey of [4-[9-[4-[2-[3-[4-[3-[4-[3-[5-[4-[9-[4-[2-[1-(2,5-dioxopyrrol-1-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-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenoxy]carbonyl-1,3-dioxoisoindol-2-yl]propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenyl] 2-[3-[4-[3-[4-[3-(2,5-dioxopyrrol-1-yl)propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carboxylate?

The InChIKey is WIAMWYPVPRRHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C186H118N6O24/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-55-164(191-167(195)98-99-168(191)196)192-175(203)155-95-59-131(113-159(155)176(192)204)180(208)216-147-90-74-139(75-91-147)186(162-53-41-37-49-150(162)151-50-38-42-54-163(151)186)138-72-88-146(89-73-138)215-179(207)130-58-94-154-158(112-130)174(202)190(171(154)199)103-46-107-212-143-82-66-135(67-83-143)184-120-126-109-127(121-184)119-183(118-126,123-184)134-64-80-142(81-65-134)211-106-45-102-189-170(198)153-93-57-129(111-157(153)173(189)201)178(206)214-145-86-70-137(71-87-145)185(160-51-39-35-47-148(160)149-48-36-40-52-161(149)185)136-68-84-144(85-69-136)213-177(205)128-56-92-152-156(110-128)172(200)188(169(152)197)101-44-105-210-141-78-62-133(63-79-141)182-116-124-108-125(117-182)115-181(114-124,122-182)132-60-76-140(77-61-132)209-104-43-100-187-165(193)96-97-166(187)194/h35-42,47-54,56-99,110-113,124-127H,1,43-46,100-109,114-123H2.

What are the key properties of [4-[9-[4-[2-[3-[4-[3-[4-[3-[5-[4-[9-[4-[2-[1-(2,5-dioxopyrrol-1-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-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenoxy]carbonyl-1,3-dioxoisoindol-2-yl]propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenyl] 2-[3-[4-[3-[4-[3-(2,5-dioxopyrrol-1-yl)propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carboxylate?

[4-[9-[4-[2-[3-[4-[3-[4-[3-[5-[4-[9-[4-[2-[1-(2,5-dioxopyrrol-1-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-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenoxy]carbonyl-1,3-dioxoisoindol-2-yl]propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenyl] 2-[3-[4-[3-[4-[3-(2,5-dioxopyrrol-1-yl)propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 2821.01 g/mol, XLogP of 30.02, 38 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[9-[4-[2-[3-[4-[3-[4-[3-[5-[4-[9-[4-[2-[1-(2,5-dioxopyrrol-1-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-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenoxy]carbonyl-1,3-dioxoisoindol-2-yl]propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carbonyl]oxyphenyl]fluoren-9-yl]phenyl] 2-[3-[4-[3-[4-[3-(2,5-dioxopyrrol-1-yl)propoxy]phenyl]-1-adamantyl]phenoxy]propyl]-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 170659607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).