[3-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane

C66H45N3Si — CID 170515214

IUPAC[3-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c(-n7c8ccccc8c8ccccc87)ccc65)cc43)cc2)cc1
InChIInChI=1S/C66H45N3Si/c1-5-21-46(22-6-1)47-37-39-48(40-38-47)67-58-33-17-13-31-55(58)56-42-41-49(45-64(56)67)68-61-36-20-16-32-57(61)65-62(68)43-44-63(69-59-34-18-14-29-53(59)54-30-15-19-35-60(54)69)66(65)70(50-23-7-2-8-24-50,51-25-9-3-10-26-51)52-27-11-4-12-28-52/h1-45H
InChIKeyWEDMPLJFGHQPEC-UHFFFAOYSA-N
MW908.19 g/mol
LogP14.02
Rot. Bonds8

About [3-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane

[3-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane (PubChem CID 170515214) has the molecular formula C66H45N3Si and a molecular weight of 908.19 g/mol. Its IUPAC name is [3-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane.

Molecular Properties

Compound Name[3-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
PubChem CID170515214
Molecular FormulaC66H45N3Si
Molecular Weight908.19 g/mol
Exact Mass907.34
IUPAC Name[3-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c(-n7c8ccccc8c8ccccc87)ccc65)cc43)cc2)cc1
InChIInChI=1S/C66H45N3Si/c1-5-21-46(22-6-1)47-37-39-48(40-38-47)67-58-33-17-13-31-55(58)56-42-41-49(45-64(56)67)68-61-36-20-16-32-57(61)65-62(68)43-44-63(69-59-34-18-14-29-53(59)54-30-15-19-35-60(54)69)66(65)70(50-23-7-2-8-24-50,51-25-9-3-10-26-51)52-27-11-4-12-28-52/h1-45H
InChIKeyWEDMPLJFGHQPEC-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

[3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane
CID 170515408
triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane
CID 170516082
[9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane
CID 170515024
[1-carbazol-9-yl-6-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]-triphenylsilane
CID 170515424
[4-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588500
[8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170516471
[9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170516404
triphenyl-[4-[4-[3-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588633
[3-[3-(5-carbazol-9-yl-2-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588896
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707
triphenyl-[4-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]silane
CID 170516296
[9-[9-(2,4-diphenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane
CID 170516153

Frequently Asked Questions

What is the IUPAC name of [3-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane?
The IUPAC name of [3-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane (CID 170515214) is [3-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane.
What is the SMILES notation for [3-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane?
The canonical SMILES for [3-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane is c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c(-n7c8ccccc8c8ccccc87)ccc65)cc43)cc2)cc1.
What is the InChIKey of [3-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane?
The InChIKey is WEDMPLJFGHQPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3Si/c1-5-21-46(22-6-1)47-37-39-48(40-38-47)67-58-33-17-13-31-55(58)56-42-41-49(45-64(56)67)68-61-36-20-16-32-57(61)65-62(68)43-44-63(69-59-34-18-14-29-53(59)54-30-15-19-35-60(54)69)66(65)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 [3-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane?
[3-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-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 [3-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane is sourced from PubChem (CID 170515214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).