[4-[3-[1-(2-dibenzofuran-2-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane

C84H56N2OSi — CID 168762466

About [4-[3-[1-(2-dibenzofuran-2-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane

[4-[3-[1-(2-dibenzofuran-2-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane (PubChem CID 168762466) has the molecular formula C84H56N2OSi and a molecular weight of 1137.47 g/mol. Its IUPAC name is [4-[3-[1-(2-dibenzofuran-2-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane.

Molecular Properties

• Compound Name: [4-[3-[1-(2-dibenzofuran-2-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane
• PubChem CID: 168762466
• Molecular Formula: C84H56N2OSi
• Molecular Weight: 1137.47 g/mol
• Exact Mass: 1136.42
• IUPAC Name: [4-[3-[1-(2-dibenzofuran-2-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane
• SMILES: c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc(-n6c7ccccc7c7cccc(-c8ccccc8-c8ccc9oc%10ccccc%10c9c8)c76)ccc54)c(-c4ccccc4)c3)cc2)cc1
• InChI: InChI=1S/C84H56N2OSi/c1-6-25-57(26-7-1)58-45-49-65(50-46-58)88(63-31-12-4-13-32-63,64-33-14-5-15-34-64)66-55-74(59-27-8-2-9-28-59)84(75(56-66)60-29-10-3-11-30-60)86-79-43-22-19-38-70(79)76-54-62(48-51-80(76)86)85-78-42-21-18-37-69(78)73-41-24-40-72(83(73)85)68-36-17-16-35-67(68)61-47-52-82-77(53-61)71-39-20-23-44-81(71)87-82/h1-56H
• InChIKey: WQDZDOKKDFRJCG-UHFFFAOYSA-N
• XLogP: 19.49
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1137.47
LogP ≤ 5	19.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 [4-[3-[1-(2-dibenzofuran-2-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane?

The IUPAC name of [4-[3-[1-(2-dibenzofuran-2-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane (CID 168762466) is [4-[3-[1-(2-dibenzofuran-2-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane.

What is the SMILES notation for [4-[3-[1-(2-dibenzofuran-2-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane?

The canonical SMILES for [4-[3-[1-(2-dibenzofuran-2-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane is c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc(-n6c7ccccc7c7cccc(-c8ccccc8-c8ccc9oc%10ccccc%10c9c8)c76)ccc54)c(-c4ccccc4)c3)cc2)cc1.

What is the InChIKey of [4-[3-[1-(2-dibenzofuran-2-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane?

The InChIKey is WQDZDOKKDFRJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H56N2OSi/c1-6-25-57(26-7-1)58-45-49-65(50-46-58)88(63-31-12-4-13-32-63,64-33-14-5-15-34-64)66-55-74(59-27-8-2-9-28-59)84(75(56-66)60-29-10-3-11-30-60)86-79-43-22-19-38-70(79)76-54-62(48-51-80(76)86)85-78-42-21-18-37-69(78)73-41-24-40-72(83(73)85)68-36-17-16-35-67(68)61-47-52-82-77(53-61)71-39-20-23-44-81(71)87-82/h1-56H.

What are the key properties of [4-[3-[1-(2-dibenzofuran-2-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane?

[4-[3-[1-(2-dibenzofuran-2-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane has a molecular weight of 1137.47 g/mol, XLogP of 19.49, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[1-(2-dibenzofuran-2-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane is sourced from PubChem (CID 168762466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).