triphenyl-[3-[12-(3-triphenylsilylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]silane

C66H48N2Si2 — CID 168792006

About triphenyl-[3-[12-(3-triphenylsilylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]silane

triphenyl-[3-[12-(3-triphenylsilylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]silane (PubChem CID 168792006) has the molecular formula C66H48N2Si2 and a molecular weight of 925.30 g/mol. Its IUPAC name is triphenyl-[3-[12-(3-triphenylsilylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-[12-(3-triphenylsilylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]silane
• PubChem CID: 168792006
• Molecular Formula: C66H48N2Si2
• Molecular Weight: 925.30 g/mol
• Exact Mass: 924.34
• IUPAC Name: triphenyl-[3-[12-(3-triphenylsilylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]silane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)c5c43)c2)cc1
• InChI: InChI=1S/C66H48N2Si2/c1-7-27-51(28-8-1)69(52-29-9-2-10-30-52,53-31-11-3-12-32-53)57-39-23-25-49(47-57)67-63-43-21-19-41-59(63)61-45-46-62-60-42-20-22-44-64(60)68(66(62)65(61)67)50-26-24-40-58(48-50)70(54-33-13-4-14-34-54,55-35-15-5-16-36-55)56-37-17-6-18-38-56/h1-48H
• InChIKey: IOWYXJFCERRFES-UHFFFAOYSA-N
• XLogP: 10.64
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.30
LogP ≤ 5	10.64
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 triphenyl-[3-[12-(3-triphenylsilylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]silane?

The IUPAC name of triphenyl-[3-[12-(3-triphenylsilylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]silane (CID 168792006) is triphenyl-[3-[12-(3-triphenylsilylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]silane.

What is the SMILES notation for triphenyl-[3-[12-(3-triphenylsilylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]silane?

The canonical SMILES for triphenyl-[3-[12-(3-triphenylsilylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]silane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c6)c5c43)c2)cc1.

What is the InChIKey of triphenyl-[3-[12-(3-triphenylsilylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]silane?

The InChIKey is IOWYXJFCERRFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N2Si2/c1-7-27-51(28-8-1)69(52-29-9-2-10-30-52,53-31-11-3-12-32-53)57-39-23-25-49(47-57)67-63-43-21-19-41-59(63)61-45-46-62-60-42-20-22-44-64(60)68(66(62)65(61)67)50-26-24-40-58(48-50)70(54-33-13-4-14-34-54,55-35-15-5-16-36-55)56-37-17-6-18-38-56/h1-48H.

What are the key properties of triphenyl-[3-[12-(3-triphenylsilylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]silane?

triphenyl-[3-[12-(3-triphenylsilylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]silane has a molecular weight of 925.30 g/mol, XLogP of 10.64, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[3-[12-(3-triphenylsilylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]silane is sourced from PubChem (CID 168792006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).