di(carbazol-9-yl)-diphenylsilane

C36H26N2Si — CID 58651816

IUPACdi(carbazol-9-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(n2c3ccccc3c3ccccc32)n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C36H26N2Si/c1-3-15-27(16-4-1)39(28-17-5-2-6-18-28,37-33-23-11-7-19-29(33)30-20-8-12-24-34(30)37)38-35-25-13-9-21-31(35)32-22-10-14-26-36(32)38/h1-26H
InChIKeyFXUJLIDGDDDVES-UHFFFAOYSA-N
MW514.70 g/mol
LogP7.56
Rot. Bonds4

About di(carbazol-9-yl)-diphenylsilane

di(carbazol-9-yl)-diphenylsilane (PubChem CID 58651816) has the molecular formula C36H26N2Si and a molecular weight of 514.70 g/mol. Its IUPAC name is di(carbazol-9-yl)-diphenylsilane.

Molecular Properties

Compound Namedi(carbazol-9-yl)-diphenylsilane
PubChem CID58651816
Molecular FormulaC36H26N2Si
Molecular Weight514.70 g/mol
Exact Mass514.19
IUPAC Namedi(carbazol-9-yl)-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(n2c3ccccc3c3ccccc32)n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C36H26N2Si/c1-3-15-27(16-4-1)39(28-17-5-2-6-18-28,37-33-23-11-7-19-29(33)30-20-8-12-24-34(30)37)38-35-25-13-9-21-31(35)32-22-10-14-26-36(32)38/h1-26H
InChIKeyFXUJLIDGDDDVES-UHFFFAOYSA-N
XLogP7.56
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.70
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of di(carbazol-9-yl)-diphenylsilane?
The IUPAC name of di(carbazol-9-yl)-diphenylsilane (CID 58651816) is di(carbazol-9-yl)-diphenylsilane.
What is the SMILES notation for di(carbazol-9-yl)-diphenylsilane?
The canonical SMILES for di(carbazol-9-yl)-diphenylsilane is c1ccc([Si](c2ccccc2)(n2c3ccccc3c3ccccc32)n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of di(carbazol-9-yl)-diphenylsilane?
The InChIKey is FXUJLIDGDDDVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2Si/c1-3-15-27(16-4-1)39(28-17-5-2-6-18-28,37-33-23-11-7-19-29(33)30-20-8-12-24-34(30)37)38-35-25-13-9-21-31(35)32-22-10-14-26-36(32)38/h1-26H.
What are the key properties of di(carbazol-9-yl)-diphenylsilane?
di(carbazol-9-yl)-diphenylsilane has a molecular weight of 514.70 g/mol, XLogP of 7.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(carbazol-9-yl)-diphenylsilane is sourced from PubChem (CID 58651816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).