ethyl 5-[2-[9-(3,5-dihexylphenyl)-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-methylfluoren-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

C136H156O24 — CID 164738649

About ethyl 5-[2-[9-(3,5-dihexylphenyl)-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-methylfluoren-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-[9-(3,5-dihexylphenyl)-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-methylfluoren-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 164738649) has the molecular formula C136H156O24 and a molecular weight of 2174.72 g/mol. Its IUPAC name is ethyl 5-[2-[9-(3,5-dihexylphenyl)-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-methylfluoren-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-[9-(3,5-dihexylphenyl)-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-methylfluoren-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: 164738649
• Molecular Formula: C136H156O24
• Molecular Weight: 2174.72 g/mol
• Exact Mass: 2173.10
• IUPAC Name: ethyl 5-[2-[9-(3,5-dihexylphenyl)-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-methylfluoren-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: CCCCCCc1cc(CCCCCC)cc(C2(C)c3cc(-c4cc5c(cc4C)-c4ccc(-c6ccccc6)cc4C5(c4ccc(COCCOCCOCCO)c(C(=O)OCC)c4)c4ccc(OCCOCCOCCOC)c(C(=O)OCC)c4)ccc3-c3ccc(-c4cc5c(cc4C)-c4ccc(-c6ccccc6)cc4C5(c4ccc(COCCOCCOCCO)c(C(=O)OCC)c4)c4ccc(OCCOCCOCCOC)c(C(=O)OCC)c4)cc32)c1
• InChI: InChI=1S/C136H156O24/c1-12-18-20-24-30-95-78-96(31-25-21-19-13-2)80-109(79-95)134(9)122-83-101(114-89-126-118(76-93(114)7)112-46-38-99(97-32-26-22-27-33-97)81-124(112)135(126,105-42-36-103(116(85-105)130(139)155-14-3)91-153-70-68-149-62-60-145-54-52-137)107-44-50-128(120(87-107)132(141)157-16-5)159-74-72-151-66-64-147-58-56-143-10)40-48-110(122)111-49-41-102(84-123(111)134)115-90-127-119(77-94(115)8)113-47-39-100(98-34-28-23-29-35-98)82-125(113)136(127,106-43-37-104(117(86-106)131(140)156-15-4)92-154-71-69-150-63-61-146-55-53-138)108-45-51-129(121(88-108)133(142)158-17-6)160-75-73-152-67-65-148-59-57-144-11/h22-23,26-29,32-51,76-90,137-138H,12-21,24-25,30-31,52-75,91-92H2,1-11H3
• InChIKey: RNEAKSMXYDUXQC-UHFFFAOYSA-N
• XLogP: 25.19
• TPSA: 274.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 67
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2174.72
LogP ≤ 5	25.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

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-[9-(3,5-dihexylphenyl)-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-methylfluoren-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-[9-(3,5-dihexylphenyl)-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-methylfluoren-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 164738649) is ethyl 5-[2-[9-(3,5-dihexylphenyl)-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-methylfluoren-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-[9-(3,5-dihexylphenyl)-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-methylfluoren-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-[9-(3,5-dihexylphenyl)-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-methylfluoren-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 CCCCCCc1cc(CCCCCC)cc(C2(C)c3cc(-c4cc5c(cc4C)-c4ccc(-c6ccccc6)cc4C5(c4ccc(COCCOCCOCCO)c(C(=O)OCC)c4)c4ccc(OCCOCCOCCOC)c(C(=O)OCC)c4)ccc3-c3ccc(-c4cc5c(cc4C)-c4ccc(-c6ccccc6)cc4C5(c4ccc(COCCOCCOCCO)c(C(=O)OCC)c4)c4ccc(OCCOCCOCCOC)c(C(=O)OCC)c4)cc32)c1.

What is the InChIKey of ethyl 5-[2-[9-(3,5-dihexylphenyl)-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-methylfluoren-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 RNEAKSMXYDUXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C136H156O24/c1-12-18-20-24-30-95-78-96(31-25-21-19-13-2)80-109(79-95)134(9)122-83-101(114-89-126-118(76-93(114)7)112-46-38-99(97-32-26-22-27-33-97)81-124(112)135(126,105-42-36-103(116(85-105)130(139)155-14-3)91-153-70-68-149-62-60-145-54-52-137)107-44-50-128(120(87-107)132(141)157-16-5)159-74-72-151-66-64-147-58-56-143-10)40-48-110(122)111-49-41-102(84-123(111)134)115-90-127-119(77-94(115)8)113-47-39-100(98-34-28-23-29-35-98)82-125(113)136(127,106-43-37-104(117(86-106)131(140)156-15-4)92-154-71-69-150-63-61-146-55-53-138)108-45-51-129(121(88-108)133(142)158-17-6)160-75-73-152-67-65-148-59-57-144-11/h22-23,26-29,32-51,76-90,137-138H,12-21,24-25,30-31,52-75,91-92H2,1-11H3.

What are the key properties of ethyl 5-[2-[9-(3,5-dihexylphenyl)-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-methylfluoren-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-[9-(3,5-dihexylphenyl)-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-methylfluoren-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 2174.72 g/mol, XLogP of 25.19, 67 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[2-[9-(3,5-dihexylphenyl)-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-methylfluoren-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 164738649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).