[3,5-di(carbazol-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane

C60H41N3Si — CID 158933010

IUPAC[3,5-di(carbazol-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane
SMILESc1ccc(-n2c3ccccc3c3c([Si](c4ccccc4)(c4ccccc4)c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cccc32)cc1
InChIInChI=1S/C60H41N3Si/c1-4-21-42(22-5-1)61-57-36-19-14-31-52(57)60-58(61)37-20-38-59(60)64(45-23-6-2-7-24-45,46-25-8-3-9-26-46)47-40-43(62-53-32-15-10-27-48(53)49-28-11-16-33-54(49)62)39-44(41-47)63-55-34-17-12-29-50(55)51-30-13-18-35-56(51)63/h1-41H
InChIKeyDDJAFJNTYOCGJB-UHFFFAOYSA-N
MW832.10 g/mol
LogP12.36
Rot. Bonds7

About [3,5-di(carbazol-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane

[3,5-di(carbazol-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane (PubChem CID 158933010) has the molecular formula C60H41N3Si and a molecular weight of 832.10 g/mol. Its IUPAC name is [3,5-di(carbazol-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane.

Molecular Properties

Compound Name[3,5-di(carbazol-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane
PubChem CID158933010
Molecular FormulaC60H41N3Si
Molecular Weight832.10 g/mol
Exact Mass831.31
IUPAC Name[3,5-di(carbazol-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane
SMILESc1ccc(-n2c3ccccc3c3c([Si](c4ccccc4)(c4ccccc4)c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cccc32)cc1
InChIInChI=1S/C60H41N3Si/c1-4-21-42(22-5-1)61-57-36-19-14-31-52(57)60-58(61)37-20-38-59(60)64(45-23-6-2-7-24-45,46-25-8-3-9-26-46)47-40-43(62-53-32-15-10-27-48(53)49-28-11-16-33-54(49)62)39-44(41-47)63-55-34-17-12-29-50(55)51-30-13-18-35-56(51)63/h1-41H
InChIKeyDDJAFJNTYOCGJB-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

triphenyl-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane
CID 170515887
[3,5-di(carbazol-9-yl)phenyl]-triphenylsilane
CID 53427855
(3-carbazol-9-ylphenyl)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane
CID 171458462
4-[diphenyl-(9-phenylcarbazol-4-yl)silyl]-N,N-diphenylaniline
CID 158876574
[8-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane
CID 170515814
(3-carbazol-9-ylphenyl)-diphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane
CID 171458575
(3-carbazol-9-ylphenyl)-triphenylsilane
CID 58926933
[9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane
CID 170515290
[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane
CID 171458247
(3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane
CID 171458361
[3-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588383
diphenyl-(3-phenylphenyl)-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane
CID 171458393

Frequently Asked Questions

What is the IUPAC name of [3,5-di(carbazol-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane?
The IUPAC name of [3,5-di(carbazol-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane (CID 158933010) is [3,5-di(carbazol-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane.
What is the SMILES notation for [3,5-di(carbazol-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane?
The canonical SMILES for [3,5-di(carbazol-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane is c1ccc(-n2c3ccccc3c3c([Si](c4ccccc4)(c4ccccc4)c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cccc32)cc1.
What is the InChIKey of [3,5-di(carbazol-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane?
The InChIKey is DDJAFJNTYOCGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3Si/c1-4-21-42(22-5-1)61-57-36-19-14-31-52(57)60-58(61)37-20-38-59(60)64(45-23-6-2-7-24-45,46-25-8-3-9-26-46)47-40-43(62-53-32-15-10-27-48(53)49-28-11-16-33-54(49)62)39-44(41-47)63-55-34-17-12-29-50(55)51-30-13-18-35-56(51)63/h1-41H.
What are the key properties of [3,5-di(carbazol-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane?
[3,5-di(carbazol-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane 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 [3,5-di(carbazol-9-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane is sourced from PubChem (CID 158933010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).