[3-(5-buta-1,3-dien-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-[3-[8-[5-[3-[(3-dibenzofuran-4-ylphenyl)-diphenylsilyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]dibenzothiophen-4-yl]phenyl]-diphenylsilane

C112H73N3O2SSi2 — CID 123356550

About [3-(5-buta-1,3-dien-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-[3-[8-[5-[3-[(3-dibenzofuran-4-ylphenyl)-diphenylsilyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]dibenzothiophen-4-yl]phenyl]-diphenylsilane

[3-(5-buta-1,3-dien-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-[3-[8-[5-[3-[(3-dibenzofuran-4-ylphenyl)-diphenylsilyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]dibenzothiophen-4-yl]phenyl]-diphenylsilane (PubChem CID 123356550) has the molecular formula C112H73N3O2SSi2 and a molecular weight of 1581.07 g/mol. Its IUPAC name is [3-(5-buta-1,3-dien-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-[3-[8-[5-[3-[(3-dibenzofuran-4-ylphenyl)-diphenylsilyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]dibenzothiophen-4-yl]phenyl]-diphenylsilane.

Molecular Properties

• Compound Name: [3-(5-buta-1,3-dien-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-[3-[8-[5-[3-[(3-dibenzofuran-4-ylphenyl)-diphenylsilyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]dibenzothiophen-4-yl]phenyl]-diphenylsilane
• PubChem CID: 123356550
• Molecular Formula: C112H73N3O2SSi2
• Molecular Weight: 1581.07 g/mol
• Exact Mass: 1579.50
• IUPAC Name: [3-(5-buta-1,3-dien-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-[3-[8-[5-[3-[(3-dibenzofuran-4-ylphenyl)-diphenylsilyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]dibenzothiophen-4-yl]phenyl]-diphenylsilane
• SMILES: C=CC(=C)n1c2ccccc2c2c1ccc1c3ccccc3n(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc(-c5cccc6c5sc5ccc(-c7ccc8oc9c(ccc%10c9c9ccccc9n%10-c9cccc([Si](c%10ccccc%10)(c%10ccccc%10)c%10cccc(-c%11cccc%12c%11oc%11ccccc%11%12)c%10)c9)c8c7)cc56)c4)c3)c12
• InChI: InChI=1S/C112H73N3O2SSi2/c1-3-72(2)113-100-55-21-17-48-95(100)107-102(113)62-60-91-89-46-16-20-54-99(89)115(109(91)107)78-33-27-45-86(71-78)120(81-38-12-6-13-39-81,82-40-14-7-15-41-82)84-43-25-31-76(67-84)88-51-29-53-94-98-69-74(59-65-106(98)118-112(88)94)73-58-64-105-97(68-73)93-61-63-103-108(111(93)117-105)96-49-18-22-56-101(96)114(103)77-32-26-44-85(70-77)119(79-34-8-4-9-35-79,80-36-10-5-11-37-80)83-42-24-30-75(66-83)87-50-28-52-92-90-47-19-23-57-104(90)116-110(87)92/h3-71H,1-2H2
• InChIKey: JUISQIWRESHXPC-UHFFFAOYSA-N
• XLogP: 24.57
• TPSA: 41.07 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1581.07
LogP ≤ 5	24.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(5-buta-1,3-dien-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-[3-[8-[5-[3-[(3-dibenzofuran-4-ylphenyl)-diphenylsilyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]dibenzothiophen-4-yl]phenyl]-diphenylsilane?

The IUPAC name of [3-(5-buta-1,3-dien-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-[3-[8-[5-[3-[(3-dibenzofuran-4-ylphenyl)-diphenylsilyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]dibenzothiophen-4-yl]phenyl]-diphenylsilane (CID 123356550) is [3-(5-buta-1,3-dien-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-[3-[8-[5-[3-[(3-dibenzofuran-4-ylphenyl)-diphenylsilyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]dibenzothiophen-4-yl]phenyl]-diphenylsilane.

What is the SMILES notation for [3-(5-buta-1,3-dien-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-[3-[8-[5-[3-[(3-dibenzofuran-4-ylphenyl)-diphenylsilyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]dibenzothiophen-4-yl]phenyl]-diphenylsilane?

The canonical SMILES for [3-(5-buta-1,3-dien-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-[3-[8-[5-[3-[(3-dibenzofuran-4-ylphenyl)-diphenylsilyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]dibenzothiophen-4-yl]phenyl]-diphenylsilane is C=CC(=C)n1c2ccccc2c2c1ccc1c3ccccc3n(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc(-c5cccc6c5sc5ccc(-c7ccc8oc9c(ccc%10c9c9ccccc9n%10-c9cccc([Si](c%10ccccc%10)(c%10ccccc%10)c%10cccc(-c%11cccc%12c%11oc%11ccccc%11%12)c%10)c9)c8c7)cc56)c4)c3)c12.

What is the InChIKey of [3-(5-buta-1,3-dien-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-[3-[8-[5-[3-[(3-dibenzofuran-4-ylphenyl)-diphenylsilyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]dibenzothiophen-4-yl]phenyl]-diphenylsilane?

The InChIKey is JUISQIWRESHXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H73N3O2SSi2/c1-3-72(2)113-100-55-21-17-48-95(100)107-102(113)62-60-91-89-46-16-20-54-99(89)115(109(91)107)78-33-27-45-86(71-78)120(81-38-12-6-13-39-81,82-40-14-7-15-41-82)84-43-25-31-76(67-84)88-51-29-53-94-98-69-74(59-65-106(98)118-112(88)94)73-58-64-105-97(68-73)93-61-63-103-108(111(93)117-105)96-49-18-22-56-101(96)114(103)77-32-26-44-85(70-77)119(79-34-8-4-9-35-79,80-36-10-5-11-37-80)83-42-24-30-75(66-83)87-50-28-52-92-90-47-19-23-57-104(90)116-110(87)92/h3-71H,1-2H2.

What are the key properties of [3-(5-buta-1,3-dien-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-[3-[8-[5-[3-[(3-dibenzofuran-4-ylphenyl)-diphenylsilyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]dibenzothiophen-4-yl]phenyl]-diphenylsilane?

[3-(5-buta-1,3-dien-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-[3-[8-[5-[3-[(3-dibenzofuran-4-ylphenyl)-diphenylsilyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]dibenzothiophen-4-yl]phenyl]-diphenylsilane has a molecular weight of 1581.07 g/mol, XLogP of 24.57, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(5-buta-1,3-dien-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-[3-[8-[5-[3-[(3-dibenzofuran-4-ylphenyl)-diphenylsilyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]dibenzothiophen-4-yl]phenyl]-diphenylsilane is sourced from PubChem (CID 123356550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).