dibenzofuran-2-yl-diphenyl-[4-[6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]silane

C64H42N4OSi — CID 168842587

About dibenzofuran-2-yl-diphenyl-[4-[6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]silane

dibenzofuran-2-yl-diphenyl-[4-[6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]silane (PubChem CID 168842587) has the molecular formula C64H42N4OSi and a molecular weight of 911.15 g/mol. Its IUPAC name is dibenzofuran-2-yl-diphenyl-[4-[6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]silane.

Molecular Properties

• Compound Name: dibenzofuran-2-yl-diphenyl-[4-[6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]silane
• PubChem CID: 168842587
• Molecular Formula: C64H42N4OSi
• Molecular Weight: 911.15 g/mol
• Exact Mass: 910.31
• IUPAC Name: dibenzofuran-2-yl-diphenyl-[4-[6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]silane
• SMILES: c1ccc(-c2cc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
• InChI: InChI=1S/C64H42N4OSi/c1-5-19-43(20-6-1)55-42-56(66-64(65-55)68-57-30-16-13-27-50(57)52-38-39-59-62(63(52)68)53-29-14-17-31-58(53)67(59)45-21-7-2-8-22-45)44-33-35-48(36-34-44)70(46-23-9-3-10-24-46,47-25-11-4-12-26-47)49-37-40-61-54(41-49)51-28-15-18-32-60(51)69-61/h1-42H
• InChIKey: UCXJFRSKLUKPEJ-UHFFFAOYSA-N
• XLogP: 13.28
• TPSA: 48.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.15
LogP ≤ 5	13.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 dibenzofuran-2-yl-diphenyl-[4-[6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]silane?

The IUPAC name of dibenzofuran-2-yl-diphenyl-[4-[6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]silane (CID 168842587) is dibenzofuran-2-yl-diphenyl-[4-[6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]silane.

What is the SMILES notation for dibenzofuran-2-yl-diphenyl-[4-[6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]silane?

The canonical SMILES for dibenzofuran-2-yl-diphenyl-[4-[6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]silane is c1ccc(-c2cc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc5oc6ccccc6c5c4)cc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.

What is the InChIKey of dibenzofuran-2-yl-diphenyl-[4-[6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]silane?

The InChIKey is UCXJFRSKLUKPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4OSi/c1-5-19-43(20-6-1)55-42-56(66-64(65-55)68-57-30-16-13-27-50(57)52-38-39-59-62(63(52)68)53-29-14-17-31-58(53)67(59)45-21-7-2-8-22-45)44-33-35-48(36-34-44)70(46-23-9-3-10-24-46,47-25-11-4-12-26-47)49-37-40-61-54(41-49)51-28-15-18-32-60(51)69-61/h1-42H.

What are the key properties of dibenzofuran-2-yl-diphenyl-[4-[6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]silane?

dibenzofuran-2-yl-diphenyl-[4-[6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]silane has a molecular weight of 911.15 g/mol, XLogP of 13.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for dibenzofuran-2-yl-diphenyl-[4-[6-phenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]silane is sourced from PubChem (CID 168842587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).