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

C60H41N3Si — CID 159773868

IUPAC[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc1
InChIInChI=1S/C60H41N3Si/c1-4-18-45(19-5-1)64(46-20-6-2-7-21-46,47-22-8-3-9-23-47)48-36-32-42(33-37-48)61-59-38-34-43(62-55-28-14-10-24-49(55)50-25-11-15-29-56(50)62)40-53(59)54-41-44(35-39-60(54)61)63-57-30-16-12-26-51(57)52-27-13-17-31-58(52)63/h1-41H
InChIKeyYDMIXEBPHOTGNV-UHFFFAOYSA-N
MW832.10 g/mol
LogP12.36
Rot. Bonds7

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

[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 159773868) has the molecular formula C60H41N3Si and a molecular weight of 832.10 g/mol. Its IUPAC name is [4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
PubChem CID159773868
Molecular FormulaC60H41N3Si
Molecular Weight832.10 g/mol
Exact Mass831.31
IUPAC Name[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc1
InChIInChI=1S/C60H41N3Si/c1-4-18-45(19-5-1)64(46-20-6-2-7-21-46,47-22-8-3-9-23-47)48-36-32-42(33-37-48)61-59-38-34-43(62-55-28-14-10-24-49(55)50-25-11-15-29-56(50)62)40-53(59)54-41-44(35-39-60(54)61)63-57-30-16-12-26-51(57)52-27-13-17-31-58(52)63/h1-41H
InChIKeyYDMIXEBPHOTGNV-UHFFFAOYSA-N
XLogP12.36
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.10
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
[7-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-triphenylsilane
CID 170516315
bis(4-carbazol-9-ylphenyl)-diphenylsilane
CID 139043550
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
[9-(4-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811108
[2-(3-carbazol-9-ylcarbazol-9-yl)-4-triphenylsilylphenyl]-triphenylsilane
CID 177105255
[2-(3-carbazol-9-ylcarbazol-9-yl)-5-triphenylsilylphenyl]-triphenylsilane
CID 177105259
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane;[3-(3-carbazol-9-yl-6-trimethylsilylcarbazol-9-yl)phenyl]-triphenylsilane;[3-(3-carbazol-9-yl-6-triphenylsilylcarbazol-9-yl)phenyl]-triphenylsilane
CID 165013153
[9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane
CID 169052984
[9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane
CID 170515024
(30-carbazol-9-yl-8,26-diazanonacyclo[24.10.1.18,15.02,7.09,14.020,25.027,32.033,37.019,38]octatriaconta-1(37),2,4,6,9(14),10,12,15,17,19(38),20,22,24,27(32),28,30,33,35-octadecaen-12-yl)-triphenylsilane
CID 168811390
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769

Frequently Asked Questions

What is the IUPAC name of [4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The IUPAC name of [4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (CID 159773868) is [4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The canonical SMILES for [4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc1.
What is the InChIKey of [4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The InChIKey is YDMIXEBPHOTGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3Si/c1-4-18-45(19-5-1)64(46-20-6-2-7-21-46,47-22-8-3-9-23-47)48-36-32-42(33-37-48)61-59-38-34-43(62-55-28-14-10-24-49(55)50-25-11-15-29-56(50)62)40-53(59)54-41-44(35-39-60(54)61)63-57-30-16-12-26-51(57)52-27-13-17-31-58(52)63/h1-41H.
What are the key properties of [4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 832.10 g/mol, XLogP of 12.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 159773868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).