6-carbazol-9-yl-9-[9-(3-triphenylsilylphenyl)carbazol-3-yl]carbazole-4-carbonitrile

C61H40N4Si — CID 166588251

IUPAC6-carbazol-9-yl-9-[9-(3-triphenylsilylphenyl)carbazol-3-yl]carbazole-4-carbonitrile
SMILESN#Cc1cccc2c1c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C61H40N4Si/c62-41-42-18-16-33-60-61(42)54-40-45(64-55-30-13-10-27-50(55)51-28-11-14-31-56(51)64)35-37-59(54)65(60)44-34-36-58-53(39-44)52-29-12-15-32-57(52)63(58)43-19-17-26-49(38-43)66(46-20-4-1-5-21-46,47-22-6-2-7-23-47)48-24-8-3-9-25-48/h1-40H
InChIKeyGFRDAJVLCSINST-UHFFFAOYSA-N
MW857.11 g/mol
LogP12.23
Rot. Bonds7

About 6-carbazol-9-yl-9-[9-(3-triphenylsilylphenyl)carbazol-3-yl]carbazole-4-carbonitrile

6-carbazol-9-yl-9-[9-(3-triphenylsilylphenyl)carbazol-3-yl]carbazole-4-carbonitrile (PubChem CID 166588251) has the molecular formula C61H40N4Si and a molecular weight of 857.11 g/mol. Its IUPAC name is 6-carbazol-9-yl-9-[9-(3-triphenylsilylphenyl)carbazol-3-yl]carbazole-4-carbonitrile.

Molecular Properties

Compound Name6-carbazol-9-yl-9-[9-(3-triphenylsilylphenyl)carbazol-3-yl]carbazole-4-carbonitrile
PubChem CID166588251
Molecular FormulaC61H40N4Si
Molecular Weight857.11 g/mol
Exact Mass856.30
IUPAC Name6-carbazol-9-yl-9-[9-(3-triphenylsilylphenyl)carbazol-3-yl]carbazole-4-carbonitrile
SMILESN#Cc1cccc2c1c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C61H40N4Si/c62-41-42-18-16-33-60-61(42)54-40-45(64-55-30-13-10-27-50(55)51-28-11-14-31-56(51)64)35-37-59(54)65(60)44-34-36-58-53(39-44)52-29-12-15-32-57(52)63(58)43-19-17-26-49(38-43)66(46-20-4-1-5-21-46,47-22-6-2-7-23-47)48-24-8-3-9-25-48/h1-40H
InChIKeyGFRDAJVLCSINST-UHFFFAOYSA-N
XLogP12.23
TPSA38.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.11
LogP ≤ 512.23
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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Related Compounds

6-carbazol-9-yl-9-phenylcarbazole-4-carbonitrile
CID 134597730
9-(8-triphenylsilyldibenzofuran-2-yl)carbazole-4-carbonitrile
CID 123762186
(3-carbazol-9-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane
CID 171457919
(3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane
CID 171458361
(3-carbazol-9-ylphenyl)-triphenylsilane
CID 58926933
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
(3-carbazol-9-ylphenyl)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane
CID 171458462
[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
[3-[4-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405539
triphenyl-[3-[3-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589061
[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane
CID 171458759
triphenyl-[3-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588203

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-9-[9-(3-triphenylsilylphenyl)carbazol-3-yl]carbazole-4-carbonitrile?
The IUPAC name of 6-carbazol-9-yl-9-[9-(3-triphenylsilylphenyl)carbazol-3-yl]carbazole-4-carbonitrile (CID 166588251) is 6-carbazol-9-yl-9-[9-(3-triphenylsilylphenyl)carbazol-3-yl]carbazole-4-carbonitrile.
What is the SMILES notation for 6-carbazol-9-yl-9-[9-(3-triphenylsilylphenyl)carbazol-3-yl]carbazole-4-carbonitrile?
The canonical SMILES for 6-carbazol-9-yl-9-[9-(3-triphenylsilylphenyl)carbazol-3-yl]carbazole-4-carbonitrile is N#Cc1cccc2c1c1cc(-n3c4ccccc4c4ccccc43)ccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 6-carbazol-9-yl-9-[9-(3-triphenylsilylphenyl)carbazol-3-yl]carbazole-4-carbonitrile?
The InChIKey is GFRDAJVLCSINST-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N4Si/c62-41-42-18-16-33-60-61(42)54-40-45(64-55-30-13-10-27-50(55)51-28-11-14-31-56(51)64)35-37-59(54)65(60)44-34-36-58-53(39-44)52-29-12-15-32-57(52)63(58)43-19-17-26-49(38-43)66(46-20-4-1-5-21-46,47-22-6-2-7-23-47)48-24-8-3-9-25-48/h1-40H.
What are the key properties of 6-carbazol-9-yl-9-[9-(3-triphenylsilylphenyl)carbazol-3-yl]carbazole-4-carbonitrile?
6-carbazol-9-yl-9-[9-(3-triphenylsilylphenyl)carbazol-3-yl]carbazole-4-carbonitrile has a molecular weight of 857.11 g/mol, XLogP of 12.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-9-[9-(3-triphenylsilylphenyl)carbazol-3-yl]carbazole-4-carbonitrile is sourced from PubChem (CID 166588251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).