bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane

C72H48N4Si — CID 59770816

IUPACbis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C72H48N4Si/c1-3-23-53(24-4-1)77(54-25-5-2-6-26-54,55-45-49(73-65-35-15-7-27-57(65)58-28-8-16-36-66(58)73)43-50(46-55)74-67-37-17-9-29-59(67)60-30-10-18-38-68(60)74)56-47-51(75-69-39-19-11-31-61(69)62-32-12-20-40-70(62)75)44-52(48-56)76-71-41-21-13-33-63(71)64-34-14-22-42-72(64)76/h1-48H
InChIKeyFCDNEESKPPIAJZ-UHFFFAOYSA-N
MW997.29 g/mol
LogP15.45
Rot. Bonds8

About bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane

bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane (PubChem CID 59770816) has the molecular formula C72H48N4Si and a molecular weight of 997.29 g/mol. Its IUPAC name is bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane.

Molecular Properties

Compound Namebis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane
PubChem CID59770816
Molecular FormulaC72H48N4Si
Molecular Weight997.29 g/mol
Exact Mass996.36
IUPAC Namebis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C72H48N4Si/c1-3-23-53(24-4-1)77(54-25-5-2-6-26-54,55-45-49(73-65-35-15-7-27-57(65)58-28-8-16-36-66(58)73)43-50(46-55)74-67-37-17-9-29-59(67)60-30-10-18-38-68(60)74)56-47-51(75-69-39-19-11-31-61(69)62-32-12-20-40-70(62)75)44-52(48-56)76-71-41-21-13-33-63(71)64-34-14-22-42-72(64)76/h1-48H
InChIKeyFCDNEESKPPIAJZ-UHFFFAOYSA-N
XLogP15.45
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.29
LogP ≤ 515.45
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 bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane?
The IUPAC name of bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane (CID 59770816) is bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane.
What is the SMILES notation for bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane?
The canonical SMILES for bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane?
The InChIKey is FCDNEESKPPIAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N4Si/c1-3-23-53(24-4-1)77(54-25-5-2-6-26-54,55-45-49(73-65-35-15-7-27-57(65)58-28-8-16-36-66(58)73)43-50(46-55)74-67-37-17-9-29-59(67)60-30-10-18-38-68(60)74)56-47-51(75-69-39-19-11-31-61(69)62-32-12-20-40-70(62)75)44-52(48-56)76-71-41-21-13-33-63(71)64-34-14-22-42-72(64)76/h1-48H.
What are the key properties of bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane?
bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane has a molecular weight of 997.29 g/mol, XLogP of 15.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane is sourced from PubChem (CID 59770816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).