[9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane

C71H47N5Si — CID 169052984

IUPAC[9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc1
InChIInChI=1S/C71H47N5Si/c1-4-22-50(23-5-1)77(51-24-6-2-7-25-51,52-26-8-3-9-27-52)53-41-43-68-61(47-53)59-33-14-18-36-64(59)74(68)49-45-70(75-65-37-19-12-30-56(65)57-31-13-20-38-66(57)75)72-71(46-49)76-67-39-21-15-32-58(67)60-44-48(40-42-69(60)76)73-62-34-16-10-28-54(62)55-29-11-17-35-63(55)73/h1-47H
InChIKeyFLQCYMNTQNUAFI-UHFFFAOYSA-N
MW998.28 g/mol
LogP14.85
Rot. Bonds8

About [9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane

[9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane (PubChem CID 169052984) has the molecular formula C71H47N5Si and a molecular weight of 998.28 g/mol. Its IUPAC name is [9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane.

Molecular Properties

Compound Name[9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane
PubChem CID169052984
Molecular FormulaC71H47N5Si
Molecular Weight998.28 g/mol
Exact Mass997.36
IUPAC Name[9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc1
InChIInChI=1S/C71H47N5Si/c1-4-22-50(23-5-1)77(51-24-6-2-7-25-51,52-26-8-3-9-27-52)53-41-43-68-61(47-53)59-33-14-18-36-64(59)74(68)49-45-70(75-65-37-19-12-30-56(65)57-31-13-20-38-66(57)75)72-71(46-49)76-67-39-21-15-32-58(67)60-44-48(40-42-69(60)76)73-62-34-16-10-28-54(62)55-29-11-17-35-63(55)73/h1-47H
InChIKeyFLQCYMNTQNUAFI-UHFFFAOYSA-N
XLogP14.85
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500998.28
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
[9-[6-carbazol-9-yl-2-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]carbazol-3-yl]-triphenylsilane
CID 169052949
[9-[6-[3,6-bis(triphenylsilyl)carbazol-9-yl]-2-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]-6-triphenylsilylcarbazol-3-yl]-triphenylsilane
CID 174090415
[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
(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
[7-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-triphenylsilane
CID 170516315
[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylsilane
CID 169282017
[9-(4-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811108
[3-[4,6-bis(3-phenylcarbazol-9-yl)-2-pyridinyl]phenyl]-triphenylsilane
CID 168780371
[2-(3-carbazol-9-ylcarbazol-9-yl)-4-triphenylsilylphenyl]-triphenylsilane
CID 177105255
[2-(3-carbazol-9-ylcarbazol-9-yl)-5-triphenylsilylphenyl]-triphenylsilane
CID 177105259

Frequently Asked Questions

What is the IUPAC name of [9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane?
The IUPAC name of [9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane (CID 169052984) is [9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane.
What is the SMILES notation for [9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane?
The canonical SMILES for [9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc1.
What is the InChIKey of [9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane?
The InChIKey is FLQCYMNTQNUAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47N5Si/c1-4-22-50(23-5-1)77(51-24-6-2-7-25-51,52-26-8-3-9-27-52)53-41-43-68-61(47-53)59-33-14-18-36-64(59)74(68)49-45-70(75-65-37-19-12-30-56(65)57-31-13-20-38-66(57)75)72-71(46-49)76-67-39-21-15-32-58(67)60-44-48(40-42-69(60)76)73-62-34-16-10-28-54(62)55-29-11-17-35-63(55)73/h1-47H.
What are the key properties of [9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane?
[9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane has a molecular weight of 998.28 g/mol, XLogP of 14.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane is sourced from PubChem (CID 169052984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).