5-[7-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-4a-methylspiro[9aH-fluorene-9,1'-cyclopentane]-2-yl]-6,9-dimethylspiro[6,7,8,9-tetrahydrobenzo[b][1,4]benzazasiline-10,1'-silolane]

C64H68N2Si — CID 91021194

About 5-[7-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-4a-methylspiro[9aH-fluorene-9,1'-cyclopentane]-2-yl]-6,9-dimethylspiro[6,7,8,9-tetrahydrobenzo[b][1,4]benzazasiline-10,1'-silolane]

5-[7-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-4a-methylspiro[9aH-fluorene-9,1'-cyclopentane]-2-yl]-6,9-dimethylspiro[6,7,8,9-tetrahydrobenzo[b][1,4]benzazasiline-10,1'-silolane] (PubChem CID 91021194) has the molecular formula C64H68N2Si and a molecular weight of 893.35 g/mol. Its IUPAC name is 5-[7-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-4a-methylspiro[9aH-fluorene-9,1'-cyclopentane]-2-yl]-6,9-dimethylspiro[6,7,8,9-tetrahydrobenzo[b][1,4]benzazasiline-10,1'-silolane].

Molecular Properties

• Compound Name: 5-[7-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-4a-methylspiro[9aH-fluorene-9,1'-cyclopentane]-2-yl]-6,9-dimethylspiro[6,7,8,9-tetrahydrobenzo[b][1,4]benzazasiline-10,1'-silolane]
• PubChem CID: 91021194
• Molecular Formula: C64H68N2Si
• Molecular Weight: 893.35 g/mol
• Exact Mass: 892.52
• IUPAC Name: 5-[7-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-4a-methylspiro[9aH-fluorene-9,1'-cyclopentane]-2-yl]-6,9-dimethylspiro[6,7,8,9-tetrahydrobenzo[b][1,4]benzazasiline-10,1'-silolane]
• SMILES: CC1CCC(C)C2=C1N(C1=CC3C(C)(C=C1)c1ccc(C=Cc4ccc5c(c4)C4(CCCC4)c4cc(N6CCCc7ccccc76)ccc4-5)cc1C31CCCC1)c1ccccc1[Si]21CCCC1
• InChI: InChI=1S/C64H68N2Si/c1-43-20-21-44(2)61-60(43)66(57-18-6-7-19-58(57)67(61)37-12-13-38-67)49-30-35-62(3)52-29-25-46(40-55(52)64(59(62)42-49)33-10-11-34-64)23-22-45-24-27-50-51-28-26-48(65-36-14-16-47-15-4-5-17-56(47)65)41-54(51)63(53(50)39-45)31-8-9-32-63/h4-7,15,17-19,22-30,35,39-44,59H,8-14,16,20-21,31-34,36-38H2,1-3H3
• InChIKey: SBBPXJUTZYUNNA-UHFFFAOYSA-N
• XLogP: 15.76
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.35
LogP ≤ 5	15.76
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-[7-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-4a-methylspiro[9aH-fluorene-9,1'-cyclopentane]-2-yl]-6,9-dimethylspiro[6,7,8,9-tetrahydrobenzo[b][1,4]benzazasiline-10,1'-silolane]?

The IUPAC name of 5-[7-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-4a-methylspiro[9aH-fluorene-9,1'-cyclopentane]-2-yl]-6,9-dimethylspiro[6,7,8,9-tetrahydrobenzo[b][1,4]benzazasiline-10,1'-silolane] (CID 91021194) is 5-[7-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-4a-methylspiro[9aH-fluorene-9,1'-cyclopentane]-2-yl]-6,9-dimethylspiro[6,7,8,9-tetrahydrobenzo[b][1,4]benzazasiline-10,1'-silolane].

What is the SMILES notation for 5-[7-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-4a-methylspiro[9aH-fluorene-9,1'-cyclopentane]-2-yl]-6,9-dimethylspiro[6,7,8,9-tetrahydrobenzo[b][1,4]benzazasiline-10,1'-silolane]?

The canonical SMILES for 5-[7-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-4a-methylspiro[9aH-fluorene-9,1'-cyclopentane]-2-yl]-6,9-dimethylspiro[6,7,8,9-tetrahydrobenzo[b][1,4]benzazasiline-10,1'-silolane] is CC1CCC(C)C2=C1N(C1=CC3C(C)(C=C1)c1ccc(C=Cc4ccc5c(c4)C4(CCCC4)c4cc(N6CCCc7ccccc76)ccc4-5)cc1C31CCCC1)c1ccccc1[Si]21CCCC1.

What is the InChIKey of 5-[7-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-4a-methylspiro[9aH-fluorene-9,1'-cyclopentane]-2-yl]-6,9-dimethylspiro[6,7,8,9-tetrahydrobenzo[b][1,4]benzazasiline-10,1'-silolane]?

The InChIKey is SBBPXJUTZYUNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H68N2Si/c1-43-20-21-44(2)61-60(43)66(57-18-6-7-19-58(57)67(61)37-12-13-38-67)49-30-35-62(3)52-29-25-46(40-55(52)64(59(62)42-49)33-10-11-34-64)23-22-45-24-27-50-51-28-26-48(65-36-14-16-47-15-4-5-17-56(47)65)41-54(51)63(53(50)39-45)31-8-9-32-63/h4-7,15,17-19,22-30,35,39-44,59H,8-14,16,20-21,31-34,36-38H2,1-3H3.

What are the key properties of 5-[7-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-4a-methylspiro[9aH-fluorene-9,1'-cyclopentane]-2-yl]-6,9-dimethylspiro[6,7,8,9-tetrahydrobenzo[b][1,4]benzazasiline-10,1'-silolane]?

5-[7-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-4a-methylspiro[9aH-fluorene-9,1'-cyclopentane]-2-yl]-6,9-dimethylspiro[6,7,8,9-tetrahydrobenzo[b][1,4]benzazasiline-10,1'-silolane] has a molecular weight of 893.35 g/mol, XLogP of 15.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-4a-methylspiro[9aH-fluorene-9,1'-cyclopentane]-2-yl]-6,9-dimethylspiro[6,7,8,9-tetrahydrobenzo[b][1,4]benzazasiline-10,1'-silolane] is sourced from PubChem (CID 91021194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).