triphenyl-[5-phenyl-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazol-3-yl]silane

C60H42N2Si — CID 170516100

IUPACtriphenyl-[5-phenyl-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazol-3-yl]silane
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3cccc(-n4c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5c5c(-c6ccccc6)cccc54)c32)cc1
InChIInChI=1S/C60H42N2Si/c1-6-22-43(23-7-1)49-32-16-18-36-54(49)62-55-37-19-17-33-51(55)52-35-21-39-58(60(52)62)61-56-41-40-48(42-53(56)59-50(34-20-38-57(59)61)44-24-8-2-9-25-44)63(45-26-10-3-11-27-45,46-28-12-4-13-29-46)47-30-14-5-15-31-47/h1-42H
InChIKeyWKBDLGCTBAPBML-UHFFFAOYSA-N
MW819.10 g/mol
LogP12.59
Rot. Bonds8

About triphenyl-[5-phenyl-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazol-3-yl]silane

triphenyl-[5-phenyl-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazol-3-yl]silane (PubChem CID 170516100) has the molecular formula C60H42N2Si and a molecular weight of 819.10 g/mol. Its IUPAC name is triphenyl-[5-phenyl-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazol-3-yl]silane.

Molecular Properties

Compound Nametriphenyl-[5-phenyl-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazol-3-yl]silane
PubChem CID170516100
Molecular FormulaC60H42N2Si
Molecular Weight819.10 g/mol
Exact Mass818.31
IUPAC Nametriphenyl-[5-phenyl-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazol-3-yl]silane
SMILESc1ccc(-c2ccccc2-n2c3ccccc3c3cccc(-n4c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5c5c(-c6ccccc6)cccc54)c32)cc1
InChIInChI=1S/C60H42N2Si/c1-6-22-43(23-7-1)49-32-16-18-36-54(49)62-55-37-19-17-33-51(55)52-35-21-39-58(60(52)62)61-56-41-40-48(42-53(56)59-50(34-20-38-57(59)61)44-24-8-2-9-25-44)63(45-26-10-3-11-27-45,46-28-12-4-13-29-46)47-30-14-5-15-31-47/h1-42H
InChIKeyWKBDLGCTBAPBML-UHFFFAOYSA-N
XLogP12.59
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.10
LogP ≤ 512.59
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

[9-(5,9-diphenylcarbazol-1-yl)carbazol-3-yl]-triphenylsilane
CID 170515314
triphenyl-[1-phenyl-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazol-3-yl]silane
CID 170516513
[9-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
CID 170515569
(3-carbazol-9-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane
CID 171457919
[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane
CID 171458759
triphenyl-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane
CID 170515042
triphenyl-[9-[5-phenyl-9-[3-[phenyl-bis(3-phenylphenyl)silyl]phenyl]carbazol-3-yl]carbazol-3-yl]silane
CID 171457989
triphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-1-yl]carbazol-3-yl]silane
CID 170515471
triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588869
triphenyl-[9-[5-phenyl-9-(2-phenylphenyl)carbazol-3-yl]carbazol-4-yl]silane
CID 171458587
[9-[9-(2,6-diphenylphenyl)-5-phenylcarbazol-3-yl]carbazol-2-yl]-triphenylsilane
CID 171458588
trimethyl-[9-(2-phenylphenyl)carbazol-3-yl]silane
CID 175089123

Frequently Asked Questions

What is the IUPAC name of triphenyl-[5-phenyl-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazol-3-yl]silane?
The IUPAC name of triphenyl-[5-phenyl-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazol-3-yl]silane (CID 170516100) is triphenyl-[5-phenyl-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazol-3-yl]silane.
What is the SMILES notation for triphenyl-[5-phenyl-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazol-3-yl]silane?
The canonical SMILES for triphenyl-[5-phenyl-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazol-3-yl]silane is c1ccc(-c2ccccc2-n2c3ccccc3c3cccc(-n4c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5c5c(-c6ccccc6)cccc54)c32)cc1.
What is the InChIKey of triphenyl-[5-phenyl-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazol-3-yl]silane?
The InChIKey is WKBDLGCTBAPBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2Si/c1-6-22-43(23-7-1)49-32-16-18-36-54(49)62-55-37-19-17-33-51(55)52-35-21-39-58(60(52)62)61-56-41-40-48(42-53(56)59-50(34-20-38-57(59)61)44-24-8-2-9-25-44)63(45-26-10-3-11-27-45,46-28-12-4-13-29-46)47-30-14-5-15-31-47/h1-42H.
What are the key properties of triphenyl-[5-phenyl-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazol-3-yl]silane?
triphenyl-[5-phenyl-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazol-3-yl]silane has a molecular weight of 819.10 g/mol, XLogP of 12.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[5-phenyl-9-[9-(2-phenylphenyl)carbazol-1-yl]carbazol-3-yl]silane is sourced from PubChem (CID 170516100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).