[benzotriazol-1-yl(carbazol-9-yl)methyl]-triphenylsilane

C37H28N4Si — CID 3750347

IUPAC[benzotriazol-1-yl(carbazol-9-yl)methyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)C(n2nnc3ccccc32)n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C37H28N4Si/c1-4-16-28(17-5-1)42(29-18-6-2-7-19-29,30-20-8-3-9-21-30)37(41-36-27-15-12-24-33(36)38-39-41)40-34-25-13-10-22-31(34)32-23-11-14-26-35(32)40/h1-27,37H
InChIKeyQCVNAUQZIKXCPO-UHFFFAOYSA-N
MW556.75 g/mol
LogP6.30
Rot. Bonds6

About [benzotriazol-1-yl(carbazol-9-yl)methyl]-triphenylsilane

[benzotriazol-1-yl(carbazol-9-yl)methyl]-triphenylsilane (PubChem CID 3750347) has the molecular formula C37H28N4Si and a molecular weight of 556.75 g/mol. Its IUPAC name is [benzotriazol-1-yl(carbazol-9-yl)methyl]-triphenylsilane.

Molecular Properties

Compound Name[benzotriazol-1-yl(carbazol-9-yl)methyl]-triphenylsilane
PubChem CID3750347
Molecular FormulaC37H28N4Si
Molecular Weight556.75 g/mol
Exact Mass556.21
IUPAC Name[benzotriazol-1-yl(carbazol-9-yl)methyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)C(n2nnc3ccccc32)n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C37H28N4Si/c1-4-16-28(17-5-1)42(29-18-6-2-7-19-29,30-20-8-3-9-21-30)37(41-36-27-15-12-24-33(36)38-39-41)40-34-25-13-10-22-31(34)32-23-11-14-26-35(32)40/h1-27,37H
InChIKeyQCVNAUQZIKXCPO-UHFFFAOYSA-N
XLogP6.30
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.75
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [benzotriazol-1-yl(carbazol-9-yl)methyl]-triphenylsilane?
The IUPAC name of [benzotriazol-1-yl(carbazol-9-yl)methyl]-triphenylsilane (CID 3750347) is [benzotriazol-1-yl(carbazol-9-yl)methyl]-triphenylsilane.
What is the SMILES notation for [benzotriazol-1-yl(carbazol-9-yl)methyl]-triphenylsilane?
The canonical SMILES for [benzotriazol-1-yl(carbazol-9-yl)methyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)C(n2nnc3ccccc32)n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of [benzotriazol-1-yl(carbazol-9-yl)methyl]-triphenylsilane?
The InChIKey is QCVNAUQZIKXCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N4Si/c1-4-16-28(17-5-1)42(29-18-6-2-7-19-29,30-20-8-3-9-21-30)37(41-36-27-15-12-24-33(36)38-39-41)40-34-25-13-10-22-31(34)32-23-11-14-26-35(32)40/h1-27,37H.
What are the key properties of [benzotriazol-1-yl(carbazol-9-yl)methyl]-triphenylsilane?
[benzotriazol-1-yl(carbazol-9-yl)methyl]-triphenylsilane has a molecular weight of 556.75 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzotriazol-1-yl(carbazol-9-yl)methyl]-triphenylsilane is sourced from PubChem (CID 3750347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).