5-[4-[9-[4-[ethenyl-[4-[9-[4-(3-hydroxy-4-nitrophenoxy)-3-phenylphenyl]fluoren-9-yl]phenoxy]-phenylsilyl]oxyphenyl]fluoren-9-yl]-2-phenylphenoxy]-2-nitrophenol

C82H56N2O10Si — CID 175505475

About 5-[4-[9-[4-[ethenyl-[4-[9-[4-(3-hydroxy-4-nitrophenoxy)-3-phenylphenyl]fluoren-9-yl]phenoxy]-phenylsilyl]oxyphenyl]fluoren-9-yl]-2-phenylphenoxy]-2-nitrophenol

5-[4-[9-[4-[ethenyl-[4-[9-[4-(3-hydroxy-4-nitrophenoxy)-3-phenylphenyl]fluoren-9-yl]phenoxy]-phenylsilyl]oxyphenyl]fluoren-9-yl]-2-phenylphenoxy]-2-nitrophenol (PubChem CID 175505475) has the molecular formula C82H56N2O10Si and a molecular weight of 1257.44 g/mol. Its IUPAC name is 5-[4-[9-[4-[ethenyl-[4-[9-[4-(3-hydroxy-4-nitrophenoxy)-3-phenylphenyl]fluoren-9-yl]phenoxy]-phenylsilyl]oxyphenyl]fluoren-9-yl]-2-phenylphenoxy]-2-nitrophenol.

Molecular Properties

• Compound Name: 5-[4-[9-[4-[ethenyl-[4-[9-[4-(3-hydroxy-4-nitrophenoxy)-3-phenylphenyl]fluoren-9-yl]phenoxy]-phenylsilyl]oxyphenyl]fluoren-9-yl]-2-phenylphenoxy]-2-nitrophenol
• PubChem CID: 175505475
• Molecular Formula: C82H56N2O10Si
• Molecular Weight: 1257.44 g/mol
• Exact Mass: 1256.37
• IUPAC Name: 5-[4-[9-[4-[ethenyl-[4-[9-[4-(3-hydroxy-4-nitrophenoxy)-3-phenylphenyl]fluoren-9-yl]phenoxy]-phenylsilyl]oxyphenyl]fluoren-9-yl]-2-phenylphenoxy]-2-nitrophenol
• SMILES: C=C[Si](Oc1ccc(C2(c3ccc(Oc4ccc([N+](=O)[O-])c(O)c4)c(-c4ccccc4)c3)c3ccccc3-c3ccccc32)cc1)(Oc1ccc(C2(c3ccc(Oc4ccc([N+](=O)[O-])c(O)c4)c(-c4ccccc4)c3)c3ccccc3-c3ccccc32)cc1)c1ccccc1
• InChI: InChI=1S/C82H56N2O10Si/c1-2-95(64-24-10-5-11-25-64,93-60-40-34-56(35-41-60)81(71-30-16-12-26-65(71)66-27-13-17-31-72(66)81)58-38-48-79(69(50-58)54-20-6-3-7-21-54)91-62-44-46-75(83(87)88)77(85)52-62)94-61-42-36-57(37-43-61)82(73-32-18-14-28-67(73)68-29-15-19-33-74(68)82)59-39-49-80(70(51-59)55-22-8-4-9-23-55)92-63-45-47-76(84(89)90)78(86)53-63/h2-53,85-86H,1H2
• InChIKey: QNIDPMPCMQRQJW-UHFFFAOYSA-N
• XLogP: 19.09
• TPSA: 163.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1257.44
LogP ≤ 5	19.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[9-[4-[ethenyl-[4-[9-[4-(3-hydroxy-4-nitrophenoxy)-3-phenylphenyl]fluoren-9-yl]phenoxy]-phenylsilyl]oxyphenyl]fluoren-9-yl]-2-phenylphenoxy]-2-nitrophenol?

The IUPAC name of 5-[4-[9-[4-[ethenyl-[4-[9-[4-(3-hydroxy-4-nitrophenoxy)-3-phenylphenyl]fluoren-9-yl]phenoxy]-phenylsilyl]oxyphenyl]fluoren-9-yl]-2-phenylphenoxy]-2-nitrophenol (CID 175505475) is 5-[4-[9-[4-[ethenyl-[4-[9-[4-(3-hydroxy-4-nitrophenoxy)-3-phenylphenyl]fluoren-9-yl]phenoxy]-phenylsilyl]oxyphenyl]fluoren-9-yl]-2-phenylphenoxy]-2-nitrophenol.

What is the SMILES notation for 5-[4-[9-[4-[ethenyl-[4-[9-[4-(3-hydroxy-4-nitrophenoxy)-3-phenylphenyl]fluoren-9-yl]phenoxy]-phenylsilyl]oxyphenyl]fluoren-9-yl]-2-phenylphenoxy]-2-nitrophenol?

The canonical SMILES for 5-[4-[9-[4-[ethenyl-[4-[9-[4-(3-hydroxy-4-nitrophenoxy)-3-phenylphenyl]fluoren-9-yl]phenoxy]-phenylsilyl]oxyphenyl]fluoren-9-yl]-2-phenylphenoxy]-2-nitrophenol is C=C[Si](Oc1ccc(C2(c3ccc(Oc4ccc([N+](=O)[O-])c(O)c4)c(-c4ccccc4)c3)c3ccccc3-c3ccccc32)cc1)(Oc1ccc(C2(c3ccc(Oc4ccc([N+](=O)[O-])c(O)c4)c(-c4ccccc4)c3)c3ccccc3-c3ccccc32)cc1)c1ccccc1.

What is the InChIKey of 5-[4-[9-[4-[ethenyl-[4-[9-[4-(3-hydroxy-4-nitrophenoxy)-3-phenylphenyl]fluoren-9-yl]phenoxy]-phenylsilyl]oxyphenyl]fluoren-9-yl]-2-phenylphenoxy]-2-nitrophenol?

The InChIKey is QNIDPMPCMQRQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H56N2O10Si/c1-2-95(64-24-10-5-11-25-64,93-60-40-34-56(35-41-60)81(71-30-16-12-26-65(71)66-27-13-17-31-72(66)81)58-38-48-79(69(50-58)54-20-6-3-7-21-54)91-62-44-46-75(83(87)88)77(85)52-62)94-61-42-36-57(37-43-61)82(73-32-18-14-28-67(73)68-29-15-19-33-74(68)82)59-39-49-80(70(51-59)55-22-8-4-9-23-55)92-63-45-47-76(84(89)90)78(86)53-63/h2-53,85-86H,1H2.

What are the key properties of 5-[4-[9-[4-[ethenyl-[4-[9-[4-(3-hydroxy-4-nitrophenoxy)-3-phenylphenyl]fluoren-9-yl]phenoxy]-phenylsilyl]oxyphenyl]fluoren-9-yl]-2-phenylphenoxy]-2-nitrophenol?

5-[4-[9-[4-[ethenyl-[4-[9-[4-(3-hydroxy-4-nitrophenoxy)-3-phenylphenyl]fluoren-9-yl]phenoxy]-phenylsilyl]oxyphenyl]fluoren-9-yl]-2-phenylphenoxy]-2-nitrophenol has a molecular weight of 1257.44 g/mol, XLogP of 19.09, 18 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[9-[4-[ethenyl-[4-[9-[4-(3-hydroxy-4-nitrophenoxy)-3-phenylphenyl]fluoren-9-yl]phenoxy]-phenylsilyl]oxyphenyl]fluoren-9-yl]-2-phenylphenoxy]-2-nitrophenol is sourced from PubChem (CID 175505475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).