5-[4-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]

C58H48N2Si — CID 91022662

About 5-[4-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]

5-[4-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] (PubChem CID 91022662) has the molecular formula C58H48N2Si and a molecular weight of 801.12 g/mol. Its IUPAC name is 5-[4-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane].

Molecular Properties

• Compound Name: 5-[4-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
• PubChem CID: 91022662
• Molecular Formula: C58H48N2Si
• Molecular Weight: 801.12 g/mol
• Exact Mass: 800.36
• IUPAC Name: 5-[4-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
• SMILES: C(=Cc1ccc(N2c3ccccc3[Si]3(CCCC3)c3ccccc32)c2ccccc12)c1ccc2c(c1)C1(Cc3ccccc3C1)c1cc(N3CCCc4ccccc43)ccc1-2
• InChI: InChI=1S/C58H48N2Si/c1-2-16-44-39-58(38-43(44)15-1)50-36-40(26-30-47(50)48-31-29-45(37-51(48)58)59-33-13-17-42-14-3-6-20-52(42)59)25-27-41-28-32-53(49-19-5-4-18-46(41)49)60-54-21-7-9-23-56(54)61(34-11-12-35-61)57-24-10-8-22-55(57)60/h1-10,14-16,18-32,36-37H,11-13,17,33-35,38-39H2
• InChIKey: VTCFGTSSXWXXCG-UHFFFAOYSA-N
• XLogP: 13.30
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.12
LogP ≤ 5	13.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]?

The IUPAC name of 5-[4-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] (CID 91022662) is 5-[4-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane].

What is the SMILES notation for 5-[4-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]?

The canonical SMILES for 5-[4-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] is C(=Cc1ccc(N2c3ccccc3[Si]3(CCCC3)c3ccccc32)c2ccccc12)c1ccc2c(c1)C1(Cc3ccccc3C1)c1cc(N3CCCc4ccccc43)ccc1-2.

What is the InChIKey of 5-[4-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]?

The InChIKey is VTCFGTSSXWXXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N2Si/c1-2-16-44-39-58(38-43(44)15-1)50-36-40(26-30-47(50)48-31-29-45(37-51(48)58)59-33-13-17-42-14-3-6-20-52(42)59)25-27-41-28-32-53(49-19-5-4-18-46(41)49)60-54-21-7-9-23-56(54)61(34-11-12-35-61)57-24-10-8-22-55(57)60/h1-10,14-16,18-32,36-37H,11-13,17,33-35,38-39H2.

What are the key properties of 5-[4-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]?

5-[4-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] has a molecular weight of 801.12 g/mol, XLogP of 13.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane] is sourced from PubChem (CID 91022662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).