2-[2-[2-[[4-[9-[3-(dimethylamino)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2-methyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]-2-methylphenyl]methoxy]ethoxy]ethoxy]ethanol

C62H70N2O8 — CID 88597738

About 2-[2-[2-[[4-[9-[3-(dimethylamino)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2-methyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]-2-methylphenyl]methoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[[4-[9-[3-(dimethylamino)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2-methyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]-2-methylphenyl]methoxy]ethoxy]ethoxy]ethanol (PubChem CID 88597738) has the molecular formula C62H70N2O8 and a molecular weight of 971.25 g/mol. Its IUPAC name is 2-[2-[2-[[4-[9-[3-(dimethylamino)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2-methyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]-2-methylphenyl]methoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[[4-[9-[3-(dimethylamino)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2-methyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]-2-methylphenyl]methoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 88597738
• Molecular Formula: C62H70N2O8
• Molecular Weight: 971.25 g/mol
• Exact Mass: 970.51
• IUPAC Name: 2-[2-[2-[[4-[9-[3-(dimethylamino)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2-methyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]-2-methylphenyl]methoxy]ethoxy]ethoxy]ethanol
• SMILES: COCCOCCOCCOc1ccc(C2(c3ccc(COCCOCCOCCO)c(C)c3)c3cc(C)ccc3-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(C)cc5)cc4)cc32)cc1N(C)C
• InChI: InChI=1S/C62H70N2O8/c1-45-12-21-54(22-13-45)64(53-10-8-7-9-11-53)55-23-16-48(17-24-55)49-18-26-57-56-25-14-46(2)40-58(56)62(59(57)42-49,51-19-15-50(47(3)41-51)44-71-37-36-69-33-32-67-29-28-65)52-20-27-61(60(43-52)63(4)5)72-39-38-70-35-34-68-31-30-66-6/h7-27,40-43,65H,28-39,44H2,1-6H3
• InChIKey: BKUMNQADMJTBHV-UHFFFAOYSA-N
• XLogP: 11.78
• TPSA: 91.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 27
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	971.25
LogP ≤ 5	11.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[4-[9-[3-(dimethylamino)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2-methyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]-2-methylphenyl]methoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[[4-[9-[3-(dimethylamino)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2-methyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]-2-methylphenyl]methoxy]ethoxy]ethoxy]ethanol (CID 88597738) is 2-[2-[2-[[4-[9-[3-(dimethylamino)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2-methyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]-2-methylphenyl]methoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[[4-[9-[3-(dimethylamino)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2-methyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]-2-methylphenyl]methoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[[4-[9-[3-(dimethylamino)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2-methyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]-2-methylphenyl]methoxy]ethoxy]ethoxy]ethanol is COCCOCCOCCOc1ccc(C2(c3ccc(COCCOCCOCCO)c(C)c3)c3cc(C)ccc3-c3ccc(-c4ccc(N(c5ccccc5)c5ccc(C)cc5)cc4)cc32)cc1N(C)C.

What is the InChIKey of 2-[2-[2-[[4-[9-[3-(dimethylamino)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2-methyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]-2-methylphenyl]methoxy]ethoxy]ethoxy]ethanol?

The InChIKey is BKUMNQADMJTBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H70N2O8/c1-45-12-21-54(22-13-45)64(53-10-8-7-9-11-53)55-23-16-48(17-24-55)49-18-26-57-56-25-14-46(2)40-58(56)62(59(57)42-49,51-19-15-50(47(3)41-51)44-71-37-36-69-33-32-67-29-28-65)52-20-27-61(60(43-52)63(4)5)72-39-38-70-35-34-68-31-30-66-6/h7-27,40-43,65H,28-39,44H2,1-6H3.

What are the key properties of 2-[2-[2-[[4-[9-[3-(dimethylamino)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2-methyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]-2-methylphenyl]methoxy]ethoxy]ethoxy]ethanol?

2-[2-[2-[[4-[9-[3-(dimethylamino)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2-methyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]-2-methylphenyl]methoxy]ethoxy]ethoxy]ethanol has a molecular weight of 971.25 g/mol, XLogP of 11.78, 27 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[[4-[9-[3-(dimethylamino)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2-methyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]-2-methylphenyl]methoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 88597738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).