CzSi

• CAS: 898546-82-2
• Catalog Number: ACM898546822-1
• Category: Organic Light Emitting Diode (OLED)
• Molecular Weight: 816.19 g/mol
• Molecular Formula: C58H49NSi2
• Synonyms: 9-(4-tert-butylphenyl)-3,6-bis(triphenylsilyl)-9H-carbazole
• IUPAC Name: [9-(4-tert-butylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane
• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)N2C3=C(C=C(C=C3)[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=C2C=CC(=C7)[Si](C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1
• InChI: InChI=1S/C58H49NSi2/c1-58(2,3)44-34-36-45(37-35-44)59-56-40-38-52(60(46-22-10-4-11-23-46,47-24-12-5-13-25-47)48-26-14-6-15-27-48)42-54(56)55-43-53(39-41-57(55)59)61(49-28-16-7-17-29-49,50-30-18-8-19-31-50)51-32-20-9-21-33-51/h4-43H,1-3H3
• InChI Key: WIHKEPSYODOQJR-UHFFFAOYSA-N
• Application: Carbazole-based host materials for blue electrophosphorescence.
• Storage: room temp
• Complexity: 1160
• Covalently-Bonded Unit Count: 1
• Exact Mass: 815.340354g/mol
• Formal Charge: 0
• Grade: Sublimed >99% / UnSublimed >98%
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 61
• MDL Number: MFCD16619363
• Monoisotopic Mass: 815.340354g/mol
• PL Peak: 354 nm (in CH2Cl2)
• Rotatable Bond Count: 10
• TGA: >320 ℃ (0.5% weight loss)
• UV Peak: 275, 301 nm (in CH2Cl2)

Custom Q&A

What is the molecular formula of CzSi?

The molecular formula of CzSi is C58H49NSi2.

What is the computed molecular weight of CzSi?

The computed molecular weight of CzSi is 816.2 g/mol.

What is the IUPAC name of CzSi?

The IUPAC name of CzSi is [9-(4-tert-butylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane.

What is the InChI of CzSi?

The InChI of CzSi is InChI=1S/C58H49NSi2/c1-58(2,3)44-34-36-45(37-35-44)59-56-40-38-52(60(46-22-10-4-11-23-46,47-24-12-5-13-25-47)48-26-14-6-15-27-48)42-54(56)55-43-53(39-41-57(55)59)61(49-28-16-7-17-29-49,50-30-18-8-19-31-50)51-32-20-9-21-33-51/h4-43H,1-3H3.

What is the Computed SMILES of CzSi?

The Computed SMILES of CzSi is CC(C)(C)C1=CC=C(C=C1)N2C3=C(C=C(C=C3)[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=C2C=CC(=C7)[Si](C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1.

What is the CAS number of CzSi?

The CAS number of CzSi is 898546-82-2.

What is the DSSTox Substance ID of CzSi?

The DSSTox Substance ID of CzSi is DTXSID80694860.

What is the molecular weight of CzSi?

The molecular weight of CzSi is 816.2 g/mol.

How many rotatable bonds does CzSi have?

CzSi has 10 rotatable bonds.

Is CzSi a canonicalized compound?

Yes, CzSi is canonicalized according to PubChem.