9-[3-[2-(4-ethenylphenoxy)ethyl-dimethylsilyl]propyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;methane

C80H82N2O3Si — CID 160892900

About 9-[3-[2-(4-ethenylphenoxy)ethyl-dimethylsilyl]propyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;methane

9-[3-[2-(4-ethenylphenoxy)ethyl-dimethylsilyl]propyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;methane (PubChem CID 160892900) has the molecular formula C80H82N2O3Si and a molecular weight of 1147.63 g/mol. Its IUPAC name is 9-[3-[2-(4-ethenylphenoxy)ethyl-dimethylsilyl]propyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;methane.

Molecular Properties

• Compound Name: 9-[3-[2-(4-ethenylphenoxy)ethyl-dimethylsilyl]propyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;methane
• PubChem CID: 160892900
• Molecular Formula: C80H82N2O3Si
• Molecular Weight: 1147.63 g/mol
• Exact Mass: 1146.61
• IUPAC Name: 9-[3-[2-(4-ethenylphenoxy)ethyl-dimethylsilyl]propyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;methane
• SMILES: C.C.C=Cc1ccc(OCCCCCCOc2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(CCC[Si](C)(C)CCOc5ccc(C=C)cc5)(c5ccccc5)c5ccccc5-6)cc4)ccc2n3-c2ccccc2)cc1
• InChI: InChI=1S/C78H74N2O3Si.2CH4/c1-5-58-31-41-67(42-32-58)81-50-20-7-8-21-51-82-69-45-48-77-73(57-69)72-55-61(37-47-76(72)80(77)64-27-16-11-17-28-64)60-35-38-65(39-36-60)79(63-25-14-10-15-26-63)66-40-46-71-70-29-18-19-30-74(70)78(75(71)56-66,62-23-12-9-13-24-62)49-22-53-84(3,4)54-52-83-68-43-33-59(6-2)34-44-68;;/h5-6,9-19,23-48,55-57H,1-2,7-8,20-22,49-54H2,3-4H3;2*1H4
• InChIKey: SOMSBSHUCOWZPA-UHFFFAOYSA-N
• XLogP: 22.38
• TPSA: 35.86 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 25
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1147.63
LogP ≤ 5	22.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-(4-ethenylphenoxy)ethyl-dimethylsilyl]propyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;methane?

The IUPAC name of 9-[3-[2-(4-ethenylphenoxy)ethyl-dimethylsilyl]propyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;methane (CID 160892900) is 9-[3-[2-(4-ethenylphenoxy)ethyl-dimethylsilyl]propyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;methane.

What is the SMILES notation for 9-[3-[2-(4-ethenylphenoxy)ethyl-dimethylsilyl]propyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;methane?

The canonical SMILES for 9-[3-[2-(4-ethenylphenoxy)ethyl-dimethylsilyl]propyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;methane is C.C.C=Cc1ccc(OCCCCCCOc2ccc3c(c2)c2cc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(CCC[Si](C)(C)CCOc5ccc(C=C)cc5)(c5ccccc5)c5ccccc5-6)cc4)ccc2n3-c2ccccc2)cc1.

What is the InChIKey of 9-[3-[2-(4-ethenylphenoxy)ethyl-dimethylsilyl]propyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;methane?

The InChIKey is SOMSBSHUCOWZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H74N2O3Si.2CH4/c1-5-58-31-41-67(42-32-58)81-50-20-7-8-21-51-82-69-45-48-77-73(57-69)72-55-61(37-47-76(72)80(77)64-27-16-11-17-28-64)60-35-38-65(39-36-60)79(63-25-14-10-15-26-63)66-40-46-71-70-29-18-19-30-74(70)78(75(71)56-66,62-23-12-9-13-24-62)49-22-53-84(3,4)54-52-83-68-43-33-59(6-2)34-44-68;;/h5-6,9-19,23-48,55-57H,1-2,7-8,20-22,49-54H2,3-4H3;2*1H4.

What are the key properties of 9-[3-[2-(4-ethenylphenoxy)ethyl-dimethylsilyl]propyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;methane?

9-[3-[2-(4-ethenylphenoxy)ethyl-dimethylsilyl]propyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;methane has a molecular weight of 1147.63 g/mol, XLogP of 22.38, 25 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[2-(4-ethenylphenoxy)ethyl-dimethylsilyl]propyl]-N-[4-[6-[6-(4-ethenylphenoxy)hexoxy]-9-phenylcarbazol-3-yl]phenyl]-N,9-diphenylfluoren-2-amine;methane is sourced from PubChem (CID 160892900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).