ethyl 5-[2-[7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate

C133H159NO24 — CID 164738625

About ethyl 5-[2-[7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate

ethyl 5-[2-[7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate (PubChem CID 164738625) has the molecular formula C133H159NO24 and a molecular weight of 2155.72 g/mol. Its IUPAC name is ethyl 5-[2-[7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate.

Molecular Properties

• Compound Name: ethyl 5-[2-[7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate
• PubChem CID: 164738625
• Molecular Formula: C133H159NO24
• Molecular Weight: 2155.72 g/mol
• Exact Mass: 2154.13
• IUPAC Name: ethyl 5-[2-[7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate
• SMILES: CCCCCCCCC(CCCCCCCC)n1c2cc(-c3cc4c(cc3C)-c3ccc(-c5ccccc5)cc3C4(c3ccc(COCCOCCOCCO)c(C(=O)OCC)c3)c3ccc(OCCOCCOCCOC)c(C(=O)OCC)c3)ccc2c2ccc(-c3cc4c(cc3C)-c3ccc(-c5ccccc5)cc3C4(c3ccc(COCCOCCOCCO)c(C(=O)OCC)c3)c3ccc(OCCOCCOCCOC)c(C(=O)OCC)c3)cc21
• InChI: InChI=1S/C133H159NO24/c1-11-17-19-21-23-31-37-107(38-32-24-22-20-18-12-2)134-124-83-99(112-89-122-116(79-93(112)7)108-49-41-97(95-33-27-25-28-34-95)81-120(108)132(122,103-45-39-101(114(85-103)128(137)153-13-3)91-151-73-71-147-65-63-143-57-55-135)105-47-53-126(118(87-105)130(139)155-15-5)157-77-75-149-69-67-145-61-59-141-9)43-51-110(124)111-52-44-100(84-125(111)134)113-90-123-117(80-94(113)8)109-50-42-98(96-35-29-26-30-36-96)82-121(109)133(123,104-46-40-102(115(86-104)129(138)154-14-4)92-152-74-72-148-66-64-144-58-56-136)106-48-54-127(119(88-106)131(140)156-16-6)158-78-76-150-70-68-146-62-60-142-10/h25-30,33-36,39-54,79-90,107,135-136H,11-24,31-32,37-38,55-78,91-92H2,1-10H3
• InChIKey: NNDOECCQHXNHMU-UHFFFAOYSA-N
• XLogP: 25.76
• TPSA: 279.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 71
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2155.72
LogP ≤ 5	25.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate?

The IUPAC name of ethyl 5-[2-[7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate (CID 164738625) is ethyl 5-[2-[7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate.

What is the SMILES notation for ethyl 5-[2-[7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate?

The canonical SMILES for ethyl 5-[2-[7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate is CCCCCCCCC(CCCCCCCC)n1c2cc(-c3cc4c(cc3C)-c3ccc(-c5ccccc5)cc3C4(c3ccc(COCCOCCOCCO)c(C(=O)OCC)c3)c3ccc(OCCOCCOCCOC)c(C(=O)OCC)c3)ccc2c2ccc(-c3cc4c(cc3C)-c3ccc(-c5ccccc5)cc3C4(c3ccc(COCCOCCOCCO)c(C(=O)OCC)c3)c3ccc(OCCOCCOCCOC)c(C(=O)OCC)c3)cc21.

What is the InChIKey of ethyl 5-[2-[7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate?

The InChIKey is NNDOECCQHXNHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C133H159NO24/c1-11-17-19-21-23-31-37-107(38-32-24-22-20-18-12-2)134-124-83-99(112-89-122-116(79-93(112)7)108-49-41-97(95-33-27-25-28-34-95)81-120(108)132(122,103-45-39-101(114(85-103)128(137)153-13-3)91-151-73-71-147-65-63-143-57-55-135)105-47-53-126(118(87-105)130(139)155-15-5)157-77-75-149-69-67-145-61-59-141-9)43-51-110(124)111-52-44-100(84-125(111)134)113-90-123-117(80-94(113)8)109-50-42-98(96-35-29-26-30-36-96)82-121(109)133(123,104-46-40-102(115(86-104)129(138)154-14-4)92-152-74-72-148-66-64-144-58-56-136)106-48-54-127(119(88-106)131(140)156-16-6)158-78-76-150-70-68-146-62-60-142-10/h25-30,33-36,39-54,79-90,107,135-136H,11-24,31-32,37-38,55-78,91-92H2,1-10H3.

What are the key properties of ethyl 5-[2-[7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate?

ethyl 5-[2-[7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate has a molecular weight of 2155.72 g/mol, XLogP of 25.76, 71 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[2-[7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate is sourced from PubChem (CID 164738625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).