triphenyl-[4-[2-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane

C66H45N3Si — CID 166589053

IUPACtriphenyl-[4-[2-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4ccc5c6ccccc6n(-c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc6)c5c4)ccc32)cc1
InChIInChI=1S/C66H45N3Si/c1-5-20-47(21-6-1)67-61-33-17-14-29-56(61)59-44-46(36-43-63(59)67)54-31-19-35-64-66(54)58-30-15-18-34-62(58)69(64)49-39-42-57-55-28-13-16-32-60(55)68(65(57)45-49)48-37-40-53(41-38-48)70(50-22-7-2-8-23-50,51-24-9-3-10-25-51)52-26-11-4-12-27-52/h1-45H
InChIKeyJTPQVYWQRYPXEJ-UHFFFAOYSA-N
MW908.19 g/mol
LogP14.02
Rot. Bonds8

About triphenyl-[4-[2-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane

triphenyl-[4-[2-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane (PubChem CID 166589053) has the molecular formula C66H45N3Si and a molecular weight of 908.19 g/mol. Its IUPAC name is triphenyl-[4-[2-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane.

Molecular Properties

Compound Nametriphenyl-[4-[2-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
PubChem CID166589053
Molecular FormulaC66H45N3Si
Molecular Weight908.19 g/mol
Exact Mass907.34
IUPAC Nametriphenyl-[4-[2-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4ccc5c6ccccc6n(-c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc6)c5c4)ccc32)cc1
InChIInChI=1S/C66H45N3Si/c1-5-20-47(21-6-1)67-61-33-17-14-29-56(61)59-44-46(36-43-63(59)67)54-31-19-35-64-66(54)58-30-15-18-34-62(58)69(64)49-39-42-57-55-28-13-16-32-60(55)68(65(57)45-49)48-37-40-53(41-38-48)70(50-22-7-2-8-23-50,51-24-9-3-10-25-51)52-26-11-4-12-27-52/h1-45H
InChIKeyJTPQVYWQRYPXEJ-UHFFFAOYSA-N
XLogP14.02
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.19
LogP ≤ 514.02
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-[3-[3-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589061
[3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane;[4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane;[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane;triphenyl-[3-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]silane
CID 163989524
triphenyl-[4-[3-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 171458089
[4-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 177276588
3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole
CID 146270951
diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]silane
CID 140842607
[3-[2-(3-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588714
[3-[2-(4-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588361
1-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159875127
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589115
[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane
CID 171458759

Frequently Asked Questions

What is the IUPAC name of triphenyl-[4-[2-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?
The IUPAC name of triphenyl-[4-[2-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane (CID 166589053) is triphenyl-[4-[2-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane.
What is the SMILES notation for triphenyl-[4-[2-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?
The canonical SMILES for triphenyl-[4-[2-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4c4ccccc4n5-c4ccc5c6ccccc6n(-c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cc6)c5c4)ccc32)cc1.
What is the InChIKey of triphenyl-[4-[2-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?
The InChIKey is JTPQVYWQRYPXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3Si/c1-5-20-47(21-6-1)67-61-33-17-14-29-56(61)59-44-46(36-43-63(59)67)54-31-19-35-64-66(54)58-30-15-18-34-62(58)69(64)49-39-42-57-55-28-13-16-32-60(55)68(65(57)45-49)48-37-40-53(41-38-48)70(50-22-7-2-8-23-50,51-24-9-3-10-25-51)52-26-11-4-12-27-52/h1-45H.
What are the key properties of triphenyl-[4-[2-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?
triphenyl-[4-[2-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane has a molecular weight of 908.19 g/mol, XLogP of 14.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[4-[2-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane is sourced from PubChem (CID 166589053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).