ethyl 5-[9-(3-acetyl-4-methylphenyl)-2-[9-[3,4-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-methylfluoren-2-yl]-7-methylfluoren-9-yl]-2-hexoxybenzoate;formaldehyde

C93H116O21 — CID 123913387

About ethyl 5-[9-(3-acetyl-4-methylphenyl)-2-[9-[3,4-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-methylfluoren-2-yl]-7-methylfluoren-9-yl]-2-hexoxybenzoate;formaldehyde

ethyl 5-[9-(3-acetyl-4-methylphenyl)-2-[9-[3,4-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-methylfluoren-2-yl]-7-methylfluoren-9-yl]-2-hexoxybenzoate;formaldehyde (PubChem CID 123913387) has the molecular formula C93H116O21 and a molecular weight of 1569.93 g/mol. Its IUPAC name is ethyl 5-[9-(3-acetyl-4-methylphenyl)-2-[9-[3,4-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-methylfluoren-2-yl]-7-methylfluoren-9-yl]-2-hexoxybenzoate;formaldehyde.

Molecular Properties

• Compound Name: ethyl 5-[9-(3-acetyl-4-methylphenyl)-2-[9-[3,4-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-methylfluoren-2-yl]-7-methylfluoren-9-yl]-2-hexoxybenzoate;formaldehyde
• PubChem CID: 123913387
• Molecular Formula: C93H116O21
• Molecular Weight: 1569.93 g/mol
• Exact Mass: 1568.80
• IUPAC Name: ethyl 5-[9-(3-acetyl-4-methylphenyl)-2-[9-[3,4-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-methylfluoren-2-yl]-7-methylfluoren-9-yl]-2-hexoxybenzoate;formaldehyde
• SMILES: C=O.CCCCCCOc1ccc(C2(c3ccc(C)c(C(C)=O)c3)c3cc(C)ccc3-c3ccc(-c4ccc5c(c4)C(c4ccc(COCCOCCOCCO)c(COCCOCCOCCO)c4)(c4ccc(OCCOCCOCCOC)c(OCCOCCOCCOC)c4)c4cc(C)ccc4-5)cc32)cc1C(=O)OCC
• InChI: InChI=1S/C92H114O20.CH2O/c1-9-11-12-13-32-110-87-28-22-75(61-82(87)90(96)109-10-2)92(74-20-16-67(5)81(60-74)68(6)95)84-56-66(4)15-25-78(84)80-27-19-70(59-86(80)92)69-18-26-79-77-24-14-65(3)55-83(77)91(85(79)58-69,73-21-17-71(63-107-49-47-103-41-39-99-33-30-93)72(57-73)64-108-50-48-104-42-40-100-34-31-94)76-23-29-88(111-53-51-105-45-43-101-37-35-97-7)89(62-76)112-54-52-106-46-44-102-38-36-98-8;1-2/h14-29,55-62,93-94H,9-13,30-54,63-64H2,1-8H3;1H2
• InChIKey: FNDOJQYHKDIUHT-UHFFFAOYSA-N
• XLogP: 14.36
• TPSA: 239.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 54
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1569.93
LogP ≤ 5	14.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[9-(3-acetyl-4-methylphenyl)-2-[9-[3,4-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-methylfluoren-2-yl]-7-methylfluoren-9-yl]-2-hexoxybenzoate;formaldehyde?

The IUPAC name of ethyl 5-[9-(3-acetyl-4-methylphenyl)-2-[9-[3,4-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-methylfluoren-2-yl]-7-methylfluoren-9-yl]-2-hexoxybenzoate;formaldehyde (CID 123913387) is ethyl 5-[9-(3-acetyl-4-methylphenyl)-2-[9-[3,4-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-methylfluoren-2-yl]-7-methylfluoren-9-yl]-2-hexoxybenzoate;formaldehyde.

What is the SMILES notation for ethyl 5-[9-(3-acetyl-4-methylphenyl)-2-[9-[3,4-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-methylfluoren-2-yl]-7-methylfluoren-9-yl]-2-hexoxybenzoate;formaldehyde?

The canonical SMILES for ethyl 5-[9-(3-acetyl-4-methylphenyl)-2-[9-[3,4-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-methylfluoren-2-yl]-7-methylfluoren-9-yl]-2-hexoxybenzoate;formaldehyde is C=O.CCCCCCOc1ccc(C2(c3ccc(C)c(C(C)=O)c3)c3cc(C)ccc3-c3ccc(-c4ccc5c(c4)C(c4ccc(COCCOCCOCCO)c(COCCOCCOCCO)c4)(c4ccc(OCCOCCOCCOC)c(OCCOCCOCCOC)c4)c4cc(C)ccc4-5)cc32)cc1C(=O)OCC.

What is the InChIKey of ethyl 5-[9-(3-acetyl-4-methylphenyl)-2-[9-[3,4-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-methylfluoren-2-yl]-7-methylfluoren-9-yl]-2-hexoxybenzoate;formaldehyde?

The InChIKey is FNDOJQYHKDIUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H114O20.CH2O/c1-9-11-12-13-32-110-87-28-22-75(61-82(87)90(96)109-10-2)92(74-20-16-67(5)81(60-74)68(6)95)84-56-66(4)15-25-78(84)80-27-19-70(59-86(80)92)69-18-26-79-77-24-14-65(3)55-83(77)91(85(79)58-69,73-21-17-71(63-107-49-47-103-41-39-99-33-30-93)72(57-73)64-108-50-48-104-42-40-100-34-31-94)76-23-29-88(111-53-51-105-45-43-101-37-35-97-7)89(62-76)112-54-52-106-46-44-102-38-36-98-8;1-2/h14-29,55-62,93-94H,9-13,30-54,63-64H2,1-8H3;1H2.

What are the key properties of ethyl 5-[9-(3-acetyl-4-methylphenyl)-2-[9-[3,4-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-methylfluoren-2-yl]-7-methylfluoren-9-yl]-2-hexoxybenzoate;formaldehyde?

ethyl 5-[9-(3-acetyl-4-methylphenyl)-2-[9-[3,4-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-methylfluoren-2-yl]-7-methylfluoren-9-yl]-2-hexoxybenzoate;formaldehyde has a molecular weight of 1569.93 g/mol, XLogP of 14.36, 54 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[9-(3-acetyl-4-methylphenyl)-2-[9-[3,4-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-methylfluoren-2-yl]-7-methylfluoren-9-yl]-2-hexoxybenzoate;formaldehyde is sourced from PubChem (CID 123913387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).