(3-carbazol-9-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane

C66H45N3Si — CID 171457919

IUPAC(3-carbazol-9-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane
SMILESc1ccc(-c2cccc3c2c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)cc1
InChIInChI=1S/C66H45N3Si/c1-4-21-46(22-5-1)54-35-20-40-65-66(54)59-45-49(68-62-38-16-12-33-57(62)58-34-13-17-39-63(58)68)41-42-64(59)69(65)48-24-19-30-53(44-48)70(50-25-6-2-7-26-50,51-27-8-3-9-28-51)52-29-18-23-47(43-52)67-60-36-14-10-31-55(60)56-32-11-15-37-61(56)67/h1-45H
InChIKeySETYFPFXPFPJOI-UHFFFAOYSA-N
MW908.19 g/mol
LogP14.02
Rot. Bonds8

About (3-carbazol-9-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane

(3-carbazol-9-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane (PubChem CID 171457919) has the molecular formula C66H45N3Si and a molecular weight of 908.19 g/mol. Its IUPAC name is (3-carbazol-9-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane.

Molecular Properties

Compound Name(3-carbazol-9-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane
PubChem CID171457919
Molecular FormulaC66H45N3Si
Molecular Weight908.19 g/mol
Exact Mass907.34
IUPAC Name(3-carbazol-9-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane
SMILESc1ccc(-c2cccc3c2c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)cc1
InChIInChI=1S/C66H45N3Si/c1-4-21-46(22-5-1)54-35-20-40-65-66(54)59-45-49(68-62-38-16-12-33-57(62)58-34-13-17-39-63(58)68)41-42-64(59)69(65)48-24-19-30-53(44-48)70(50-25-6-2-7-26-50,51-27-8-3-9-28-51)52-29-18-23-47(43-52)67-60-36-14-10-31-55(60)56-32-11-15-37-61(56)67/h1-45H
InChIKeySETYFPFXPFPJOI-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-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane
CID 171458759
diphenyl-(3-phenylphenyl)-[3-[5-phenyl-3-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]silane
CID 171458498
triphenyl-[9-[5-phenyl-9-[3-[phenyl-bis(3-phenylphenyl)silyl]phenyl]carbazol-3-yl]carbazol-3-yl]silane
CID 171457989
triphenyl-[3-[3-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589061
[9-[9-(2,6-diphenylphenyl)-5-phenylcarbazol-3-yl]carbazol-2-yl]-triphenylsilane
CID 171458588
[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-[9-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-4-yl]silane
CID 171458608
triphenyl-[4-[3-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 171458089
triphenyl-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane
CID 171457929
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345
(3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane
CID 171458361
triphenyl-[9-[5-phenyl-9-(2-phenylphenyl)carbazol-3-yl]carbazol-4-yl]silane
CID 171458587

Frequently Asked Questions

What is the IUPAC name of (3-carbazol-9-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane?
The IUPAC name of (3-carbazol-9-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane (CID 171457919) is (3-carbazol-9-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane.
What is the SMILES notation for (3-carbazol-9-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane?
The canonical SMILES for (3-carbazol-9-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane is c1ccc(-c2cccc3c2c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)cc1.
What is the InChIKey of (3-carbazol-9-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane?
The InChIKey is SETYFPFXPFPJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3Si/c1-4-21-46(22-5-1)54-35-20-40-65-66(54)59-45-49(68-62-38-16-12-33-57(62)58-34-13-17-39-63(58)68)41-42-64(59)69(65)48-24-19-30-53(44-48)70(50-25-6-2-7-26-50,51-27-8-3-9-28-51)52-29-18-23-47(43-52)67-60-36-14-10-31-55(60)56-32-11-15-37-61(56)67/h1-45H.
What are the key properties of (3-carbazol-9-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane?
(3-carbazol-9-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane 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-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane is sourced from PubChem (CID 171457919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).