triphenyl-(3-triphenylsilylcarbazol-9-yl)silane

C48H37NSi2 — CID 146048426

IUPACtriphenyl-(3-triphenylsilylcarbazol-9-yl)silane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H37NSi2/c1-7-21-38(22-8-1)50(39-23-9-2-10-24-39,40-25-11-3-12-26-40)44-35-36-48-46(37-44)45-33-19-20-34-47(45)49(48)51(41-27-13-4-14-28-41,42-29-15-5-16-30-42)43-31-17-6-18-32-43/h1-37H
InChIKeyIMFONOCZZPZPNC-UHFFFAOYSA-N
MW684.00 g/mol
LogP6.69
Rot. Bonds8

About triphenyl-(3-triphenylsilylcarbazol-9-yl)silane

triphenyl-(3-triphenylsilylcarbazol-9-yl)silane (PubChem CID 146048426) has the molecular formula C48H37NSi2 and a molecular weight of 684.00 g/mol. Its IUPAC name is triphenyl-(3-triphenylsilylcarbazol-9-yl)silane.

Molecular Properties

Compound Nametriphenyl-(3-triphenylsilylcarbazol-9-yl)silane
PubChem CID146048426
Molecular FormulaC48H37NSi2
Molecular Weight684.00 g/mol
Exact Mass683.25
IUPAC Nametriphenyl-(3-triphenylsilylcarbazol-9-yl)silane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H37NSi2/c1-7-21-38(22-8-1)50(39-23-9-2-10-24-39,40-25-11-3-12-26-40)44-35-36-48-46(37-44)45-33-19-20-34-47(45)49(48)51(41-27-13-4-14-28-41,42-29-15-5-16-30-42)43-31-17-6-18-32-43/h1-37H
InChIKeyIMFONOCZZPZPNC-UHFFFAOYSA-N
XLogP6.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms51
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.00
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 triphenyl-(3-triphenylsilylcarbazol-9-yl)silane?
The IUPAC name of triphenyl-(3-triphenylsilylcarbazol-9-yl)silane (CID 146048426) is triphenyl-(3-triphenylsilylcarbazol-9-yl)silane.
What is the SMILES notation for triphenyl-(3-triphenylsilylcarbazol-9-yl)silane?
The canonical SMILES for triphenyl-(3-triphenylsilylcarbazol-9-yl)silane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-(3-triphenylsilylcarbazol-9-yl)silane?
The InChIKey is IMFONOCZZPZPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37NSi2/c1-7-21-38(22-8-1)50(39-23-9-2-10-24-39,40-25-11-3-12-26-40)44-35-36-48-46(37-44)45-33-19-20-34-47(45)49(48)51(41-27-13-4-14-28-41,42-29-15-5-16-30-42)43-31-17-6-18-32-43/h1-37H.
What are the key properties of triphenyl-(3-triphenylsilylcarbazol-9-yl)silane?
triphenyl-(3-triphenylsilylcarbazol-9-yl)silane has a molecular weight of 684.00 g/mol, XLogP of 6.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-(3-triphenylsilylcarbazol-9-yl)silane is sourced from PubChem (CID 146048426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).