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

C66H45N3Si — CID 166589115

IUPACtriphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc7c8ccccc8n(-c8ccc([Si](c9ccccc9)(c9ccccc9)c9ccccc9)cc8)c7c6)c5c4)cc32)cc1
InChIInChI=1S/C66H45N3Si/c1-5-19-48(20-6-1)67-61-30-16-13-27-55(61)58-40-33-46(43-64(58)67)47-34-41-59-56-28-15-18-32-63(56)69(65(59)44-47)50-37-42-60-57-29-14-17-31-62(57)68(66(60)45-50)49-35-38-54(39-36-49)70(51-21-7-2-8-22-51,52-23-9-3-10-24-52)53-25-11-4-12-26-53/h1-45H
InChIKeyXKNMVSQRZMPJAM-UHFFFAOYSA-N
MW908.19 g/mol
LogP14.02
Rot. Bonds8

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

triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane (PubChem CID 166589115) has the molecular formula C66H45N3Si and a molecular weight of 908.19 g/mol. Its IUPAC name is triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane.

Molecular Properties

Compound Nametriphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
PubChem CID166589115
Molecular FormulaC66H45N3Si
Molecular Weight908.19 g/mol
Exact Mass907.34
IUPAC Nametriphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc7c8ccccc8n(-c8ccc([Si](c9ccccc9)(c9ccccc9)c9ccccc9)cc8)c7c6)c5c4)cc32)cc1
InChIInChI=1S/C66H45N3Si/c1-5-19-48(20-6-1)67-61-30-16-13-27-55(61)58-40-33-46(43-64(58)67)47-34-41-59-56-28-15-18-32-63(56)69(65(59)44-47)50-37-42-60-57-29-14-17-31-62(57)68(66(60)45-50)49-35-38-54(39-36-49)70(51-21-7-2-8-22-51,52-23-9-3-10-24-52)53-25-11-4-12-26-53/h1-45H
InChIKeyXKNMVSQRZMPJAM-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-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
CID 170516202
triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 170516502
triphenyl-[3-[3-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588203
[9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane
CID 170515024
[6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane
CID 140778740
[7-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-triphenylsilane
CID 170516315
triphenyl-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170515813
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588700
triphenyl-[4-[2-[1-(2-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588219
4-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-N-(4-triphenylsilylphenyl)aniline
CID 123610443
bis(4-carbazol-9-ylphenyl)-diphenylsilane
CID 139043550

Frequently Asked Questions

What is the IUPAC name of triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?
The IUPAC name of triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane (CID 166589115) is triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane.
What is the SMILES notation for triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?
The canonical SMILES for triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6ccc7c8ccccc8n(-c8ccc([Si](c9ccccc9)(c9ccccc9)c9ccccc9)cc8)c7c6)c5c4)cc32)cc1.
What is the InChIKey of triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?
The InChIKey is XKNMVSQRZMPJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3Si/c1-5-19-48(20-6-1)67-61-30-16-13-27-55(61)58-40-33-46(43-64(58)67)47-34-41-59-56-28-15-18-32-63(56)69(65(59)44-47)50-37-42-60-57-29-14-17-31-62(57)68(66(60)45-50)49-35-38-54(39-36-49)70(51-21-7-2-8-22-51,52-23-9-3-10-24-52)53-25-11-4-12-26-53/h1-45H.
What are the key properties of triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane?
triphenyl-[4-[2-[2-(9-phenylcarbazol-2-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-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane is sourced from PubChem (CID 166589115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).