bis(9-ethylcarbazol-3-yl)-diphenylsilane

C40H34N2Si — CID 4521913

IUPACbis(9-ethylcarbazol-3-yl)-diphenylsilane
SMILESCCn1c2ccccc2c2cc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)c3ccccc3n4CC)ccc21
InChIInChI=1S/C40H34N2Si/c1-3-41-37-21-13-11-19-33(37)35-27-31(23-25-39(35)41)43(29-15-7-5-8-16-29,30-17-9-6-10-18-30)32-24-26-40-36(28-32)34-20-12-14-22-38(34)42(40)4-2/h5-28H,3-4H2,1-2H3
InChIKeyCLXJDUDJVDWLGI-UHFFFAOYSA-N
MW570.81 g/mol
LogP7.32
Rot. Bonds6

About bis(9-ethylcarbazol-3-yl)-diphenylsilane

bis(9-ethylcarbazol-3-yl)-diphenylsilane (PubChem CID 4521913) has the molecular formula C40H34N2Si and a molecular weight of 570.81 g/mol. Its IUPAC name is bis(9-ethylcarbazol-3-yl)-diphenylsilane.

Molecular Properties

Compound Namebis(9-ethylcarbazol-3-yl)-diphenylsilane
PubChem CID4521913
Molecular FormulaC40H34N2Si
Molecular Weight570.81 g/mol
Exact Mass570.25
IUPAC Namebis(9-ethylcarbazol-3-yl)-diphenylsilane
SMILESCCn1c2ccccc2c2cc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)c3ccccc3n4CC)ccc21
InChIInChI=1S/C40H34N2Si/c1-3-41-37-21-13-11-19-33(37)35-27-31(23-25-39(35)41)43(29-15-7-5-8-16-29,30-17-9-6-10-18-30)32-24-26-40-36(28-32)34-20-12-14-22-38(34)42(40)4-2/h5-28H,3-4H2,1-2H3
InChIKeyCLXJDUDJVDWLGI-UHFFFAOYSA-N
XLogP7.32
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.81
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(9-ethylcarbazol-3-yl)-diphenylsilane?
The IUPAC name of bis(9-ethylcarbazol-3-yl)-diphenylsilane (CID 4521913) is bis(9-ethylcarbazol-3-yl)-diphenylsilane.
What is the SMILES notation for bis(9-ethylcarbazol-3-yl)-diphenylsilane?
The canonical SMILES for bis(9-ethylcarbazol-3-yl)-diphenylsilane is CCn1c2ccccc2c2cc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)c3ccccc3n4CC)ccc21.
What is the InChIKey of bis(9-ethylcarbazol-3-yl)-diphenylsilane?
The InChIKey is CLXJDUDJVDWLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N2Si/c1-3-41-37-21-13-11-19-33(37)35-27-31(23-25-39(35)41)43(29-15-7-5-8-16-29,30-17-9-6-10-18-30)32-24-26-40-36(28-32)34-20-12-14-22-38(34)42(40)4-2/h5-28H,3-4H2,1-2H3.
What are the key properties of bis(9-ethylcarbazol-3-yl)-diphenylsilane?
bis(9-ethylcarbazol-3-yl)-diphenylsilane has a molecular weight of 570.81 g/mol, XLogP of 7.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9-ethylcarbazol-3-yl)-diphenylsilane is sourced from PubChem (CID 4521913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).