43,44,45,46,47,48,49-heptakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene

C140H168O28 — CID 51034062

About 43,44,45,46,47,48,49-heptakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene

43,44,45,46,47,48,49-heptakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene (PubChem CID 51034062) has the molecular formula C140H168O28 and a molecular weight of 2298.86 g/mol. Its IUPAC name is 43,44,45,46,47,48,49-heptakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene.

Molecular Properties

• Compound Name: 43,44,45,46,47,48,49-heptakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene
• PubChem CID: 51034062
• Molecular Formula: C140H168O28
• Molecular Weight: 2298.86 g/mol
• Exact Mass: 2297.17
• IUPAC Name: 43,44,45,46,47,48,49-heptakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene
• SMILES: COCCOCCOCCOc1c2cc(-c3ccccc3)cc1Cc1cc(-c3ccccc3)cc(c1OCCOCCOCCOC)Cc1cc(-c3ccccc3)cc(c1OCCOCCOCCOC)Cc1cc(-c3ccccc3)cc(c1OCCOCCOCCOC)Cc1cc(-c3ccccc3)cc(c1OCCOCCOCCOC)Cc1cc(-c3ccccc3)cc(c1OCCOCCOCCOC)Cc1cc(-c3ccccc3)cc(c1OCCOCCOCCOC)C2
• InChI: InChI=1S/C140H168O28/c1-141-43-50-148-57-64-155-71-78-162-134-120-85-113(106-29-15-8-16-30-106)86-121(134)100-123-88-115(108-33-19-10-20-34-108)90-125(136(123)164-80-73-157-66-59-150-52-45-143-3)102-127-92-117(110-37-23-12-24-38-110)94-129(138(127)166-82-75-159-68-61-152-54-47-145-5)104-131-96-119(112-41-27-14-28-42-112)98-133(140(131)168-84-77-161-70-63-154-56-49-147-7)105-132-97-118(111-39-25-13-26-40-111)95-130(139(132)167-83-76-160-69-62-153-55-48-146-6)103-128-93-116(109-35-21-11-22-36-109)91-126(137(128)165-81-74-158-67-60-151-53-46-144-4)101-124-89-114(107-31-17-9-18-32-107)87-122(99-120)135(124)163-79-72-156-65-58-149-51-44-142-2/h8-42,85-98H,43-84,99-105H2,1-7H3
• InChIKey: YLSOIBCGRLUHLX-UHFFFAOYSA-N
• XLogP: 23.21
• TPSA: 258.44 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 77
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2298.86
LogP ≤ 5	23.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 43,44,45,46,47,48,49-heptakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene?

The IUPAC name of 43,44,45,46,47,48,49-heptakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene (CID 51034062) is 43,44,45,46,47,48,49-heptakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene.

What is the SMILES notation for 43,44,45,46,47,48,49-heptakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene?

The canonical SMILES for 43,44,45,46,47,48,49-heptakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene is COCCOCCOCCOc1c2cc(-c3ccccc3)cc1Cc1cc(-c3ccccc3)cc(c1OCCOCCOCCOC)Cc1cc(-c3ccccc3)cc(c1OCCOCCOCCOC)Cc1cc(-c3ccccc3)cc(c1OCCOCCOCCOC)Cc1cc(-c3ccccc3)cc(c1OCCOCCOCCOC)Cc1cc(-c3ccccc3)cc(c1OCCOCCOCCOC)Cc1cc(-c3ccccc3)cc(c1OCCOCCOCCOC)C2.

What is the InChIKey of 43,44,45,46,47,48,49-heptakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene?

The InChIKey is YLSOIBCGRLUHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C140H168O28/c1-141-43-50-148-57-64-155-71-78-162-134-120-85-113(106-29-15-8-16-30-106)86-121(134)100-123-88-115(108-33-19-10-20-34-108)90-125(136(123)164-80-73-157-66-59-150-52-45-143-3)102-127-92-117(110-37-23-12-24-38-110)94-129(138(127)166-82-75-159-68-61-152-54-47-145-5)104-131-96-119(112-41-27-14-28-42-112)98-133(140(131)168-84-77-161-70-63-154-56-49-147-7)105-132-97-118(111-39-25-13-26-40-111)95-130(139(132)167-83-76-160-69-62-153-55-48-146-6)103-128-93-116(109-35-21-11-22-36-109)91-126(137(128)165-81-74-158-67-60-151-53-46-144-4)101-124-89-114(107-31-17-9-18-32-107)87-122(99-120)135(124)163-79-72-156-65-58-149-51-44-142-2/h8-42,85-98H,43-84,99-105H2,1-7H3.

What are the key properties of 43,44,45,46,47,48,49-heptakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene?

43,44,45,46,47,48,49-heptakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene has a molecular weight of 2298.86 g/mol, XLogP of 23.21, 77 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 43,44,45,46,47,48,49-heptakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene is sourced from PubChem (CID 51034062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).