(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane

C56H57NSSi3 — CID 170930237

About (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane

(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane (PubChem CID 170930237) has the molecular formula C56H57NSSi3 and a molecular weight of 860.40 g/mol. Its IUPAC name is (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane.

Molecular Properties

• Compound Name: (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane
• PubChem CID: 170930237
• Molecular Formula: C56H57NSSi3
• Molecular Weight: 860.40 g/mol
• Exact Mass: 859.35
• IUPAC Name: (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane
• SMILES: CC1(C)CCC(C)(C)c2cc([Si](c3cccc(-n4c5ccccc5c5ccccc54)c3)(c3ccc4c(c3)[Si](C)(C)CC[Si]4(C)C)c3cccc4c3sc3ccccc34)ccc21
• InChI: InChI=1S/C56H57NSSi3/c1-55(2)31-32-56(3,4)47-36-40(27-29-46(47)55)61(41-28-30-51-53(37-41)60(7,8)34-33-59(51,5)6,52-26-16-22-45-44-21-11-14-25-50(44)58-54(45)52)39-18-15-17-38(35-39)57-48-23-12-9-19-42(48)43-20-10-13-24-49(43)57/h9-30,35-37H,31-34H2,1-8H3
• InChIKey: ZBFBANFWGNGHNI-UHFFFAOYSA-N
• XLogP: 11.72
• TPSA: 4.93 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	860.40
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane?

The IUPAC name of (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane (CID 170930237) is (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane.

What is the SMILES notation for (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane?

The canonical SMILES for (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane is CC1(C)CCC(C)(C)c2cc([Si](c3cccc(-n4c5ccccc5c5ccccc54)c3)(c3ccc4c(c3)[Si](C)(C)CC[Si]4(C)C)c3cccc4c3sc3ccccc34)ccc21.

What is the InChIKey of (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane?

The InChIKey is ZBFBANFWGNGHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H57NSSi3/c1-55(2)31-32-56(3,4)47-36-40(27-29-46(47)55)61(41-28-30-51-53(37-41)60(7,8)34-33-59(51,5)6,52-26-16-22-45-44-21-11-14-25-50(44)58-54(45)52)39-18-15-17-38(35-39)57-48-23-12-9-19-42(48)43-20-10-13-24-49(43)57/h9-30,35-37H,31-34H2,1-8H3.

What are the key properties of (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane?

(3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane has a molecular weight of 860.40 g/mol, XLogP of 11.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3-carbazol-9-ylphenyl)-dibenzothiophen-4-yl-(1,1,4,4-tetramethyl-2,3-dihydro-1,4-benzodisilin-6-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)silane is sourced from PubChem (CID 170930237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).