[5-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane

C66H45N3Si — CID 170515407

IUPAC[5-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-n5c6cccc(-n7c8ccccc8c8ccccc87)c6c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c65)ccc43)cc2)cc1
InChIInChI=1S/C66H45N3Si/c1-5-21-46(22-6-1)47-39-41-48(42-40-47)67-58-33-16-15-31-55(58)57-45-49(43-44-61(57)67)68-62-36-20-37-63(69-59-34-17-13-29-53(59)54-30-14-18-35-60(54)69)65(62)56-32-19-38-64(66(56)68)70(50-23-7-2-8-24-50,51-25-9-3-10-26-51)52-27-11-4-12-28-52/h1-45H
InChIKeyJIUDZBASYNFJSA-UHFFFAOYSA-N
MW908.19 g/mol
LogP14.02
Rot. Bonds8

About [5-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane

[5-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane (PubChem CID 170515407) has the molecular formula C66H45N3Si and a molecular weight of 908.19 g/mol. Its IUPAC name is [5-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane.

Molecular Properties

Compound Name[5-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane
PubChem CID170515407
Molecular FormulaC66H45N3Si
Molecular Weight908.19 g/mol
Exact Mass907.34
IUPAC Name[5-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-n5c6cccc(-n7c8ccccc8c8ccccc87)c6c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c65)ccc43)cc2)cc1
InChIInChI=1S/C66H45N3Si/c1-5-21-46(22-6-1)47-39-41-48(42-40-47)67-58-33-16-15-31-55(58)57-45-49(43-44-61(57)67)68-62-36-20-37-63(69-59-34-17-13-29-53(59)54-30-14-18-35-60(54)69)65(62)56-32-19-38-64(66(56)68)70(50-23-7-2-8-24-50,51-25-9-3-10-26-51)52-27-11-4-12-28-52/h1-45H
InChIKeyJIUDZBASYNFJSA-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

[9-[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]carbazol-1-yl]-triphenylsilane
CID 170515347
[8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170516471
[6-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane
CID 170515996
triphenyl-[4-[4-[3-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588633
[9-(8-carbazol-9-yl-9-phenylcarbazol-4-yl)carbazol-1-yl]-triphenylsilane
CID 170516398
[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane
CID 171458247
diphenyl-(9-phenylcarbazol-3-yl)-[9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane
CID 171458283
triphenyl-[9-[5-phenyl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-1-yl]silane
CID 170515929
[9-[8-carbazol-9-yl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]-triphenylsilane
CID 170515914
[3-[3-(5-carbazol-9-yl-2-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588896
triphenyl-[3-[4-[1-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588340
[8-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane
CID 170515814

Frequently Asked Questions

What is the IUPAC name of [5-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane?
The IUPAC name of [5-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane (CID 170515407) is [5-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane.
What is the SMILES notation for [5-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane?
The canonical SMILES for [5-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-n5c6cccc(-n7c8ccccc8c8ccccc87)c6c6cccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c65)ccc43)cc2)cc1.
What is the InChIKey of [5-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane?
The InChIKey is JIUDZBASYNFJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3Si/c1-5-21-46(22-6-1)47-39-41-48(42-40-47)67-58-33-16-15-31-55(58)57-45-49(43-44-61(57)67)68-62-36-20-37-63(69-59-34-17-13-29-53(59)54-30-14-18-35-60(54)69)65(62)56-32-19-38-64(66(56)68)70(50-23-7-2-8-24-50,51-25-9-3-10-26-51)52-27-11-4-12-28-52/h1-45H.
What are the key properties of [5-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane?
[5-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane 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 [5-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane is sourced from PubChem (CID 170515407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).