[3-[4-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane

C56H50N2Si — CID 162490215

IUPAC[3-[4-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c1c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C56H50N2Si/c1-55(2,3)39-32-34-50-47(36-39)48-37-40(56(4,5)6)33-35-51(48)58(50)53-31-19-30-52-54(53)46-28-16-17-29-49(46)57(52)41-20-18-27-45(38-41)59(42-21-10-7-11-22-42,43-23-12-8-13-24-43)44-25-14-9-15-26-44/h7-38H,1-6H3
InChIKeyBFPISMPRCOHBER-UHFFFAOYSA-N
MW779.12 g/mol
LogP11.85
Rot. Bonds6

About [3-[4-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane

[3-[4-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 162490215) has the molecular formula C56H50N2Si and a molecular weight of 779.12 g/mol. Its IUPAC name is [3-[4-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-[4-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
PubChem CID162490215
Molecular FormulaC56H50N2Si
Molecular Weight779.12 g/mol
Exact Mass778.37
IUPAC Name[3-[4-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c1c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C56H50N2Si/c1-55(2,3)39-32-34-50-47(36-39)48-37-40(56(4,5)6)33-35-51(48)58(50)53-31-19-30-52-54(53)46-28-16-17-29-49(46)57(52)41-20-18-27-45(38-41)59(42-21-10-7-11-22-42,43-23-12-8-13-24-43)44-25-14-9-15-26-44/h7-38H,1-6H3
InChIKeyBFPISMPRCOHBER-UHFFFAOYSA-N
XLogP11.85
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.12
LogP ≤ 511.85
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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Related Compounds

[3-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588383
3-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazole;4-carbazol-9-yl-9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazole;[9-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazol-2-yl]-triphenylsilane;3,6-ditert-butyl-9-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 163943164
[3-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588646
triphenyl-[3-[4-[1-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588340
[3-[3-(5-carbazol-9-yl-2-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588896
triphenyl-[3-[3-(4-pyrido[3,4-b]indol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]silane
CID 166588890
3,6-ditert-butyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 164733169
triphenyl-[3-[4-[1-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589058
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
[3-[4-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405539
triphenyl-[3-[4-[1-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589089
[4-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588500

Frequently Asked Questions

What is the IUPAC name of [3-[4-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The IUPAC name of [3-[4-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (CID 162490215) is [3-[4-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-[4-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The canonical SMILES for [3-[4-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc2c1c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [3-[4-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The InChIKey is BFPISMPRCOHBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50N2Si/c1-55(2,3)39-32-34-50-47(36-39)48-37-40(56(4,5)6)33-35-51(48)58(50)53-31-19-30-52-54(53)46-28-16-17-29-49(46)57(52)41-20-18-27-45(38-41)59(42-21-10-7-11-22-42,43-23-12-8-13-24-43)44-25-14-9-15-26-44/h7-38H,1-6H3.
What are the key properties of [3-[4-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
[3-[4-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 779.12 g/mol, XLogP of 11.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 162490215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).