[9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane

C66H45N3Si — CID 170515024

IUPAC[9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane
SMILESc1ccc(-c2ccc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc65)cc43)cc2)cc1
InChIInChI=1S/C66H45N3Si/c1-5-19-46(20-6-1)47-33-35-48(36-34-47)67-65-43-49(68-61-30-16-13-27-55(61)56-28-14-17-31-62(56)68)37-40-58(65)59-41-38-50(44-66(59)67)69-63-32-18-15-29-57(63)60-45-54(39-42-64(60)69)70(51-21-7-2-8-22-51,52-23-9-3-10-24-52)53-25-11-4-12-26-53/h1-45H
InChIKeyFLVWGUSALQGLBM-UHFFFAOYSA-N
MW908.19 g/mol
LogP14.02
Rot. Bonds8

About [9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane

[9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane (PubChem CID 170515024) has the molecular formula C66H45N3Si and a molecular weight of 908.19 g/mol. Its IUPAC name is [9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane.

Molecular Properties

Compound Name[9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane
PubChem CID170515024
Molecular FormulaC66H45N3Si
Molecular Weight908.19 g/mol
Exact Mass907.34
IUPAC Name[9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane
SMILESc1ccc(-c2ccc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc65)cc43)cc2)cc1
InChIInChI=1S/C66H45N3Si/c1-5-19-46(20-6-1)47-33-35-48(36-34-47)67-65-43-49(68-61-30-16-13-27-55(61)56-28-14-17-31-62(56)68)37-40-58(65)59-41-38-50(44-66(59)67)69-63-32-18-15-29-57(63)60-45-54(39-42-64(60)69)70(51-21-7-2-8-22-51,52-23-9-3-10-24-52)53-25-11-4-12-26-53/h1-45H
InChIKeyFLVWGUSALQGLBM-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-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 170516502
triphenyl-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170515813
[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
[9-[9-(2,4-diphenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane
CID 170516153
triphenyl-[6-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane
CID 170515246
triphenyl-[9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-3-yl]silane
CID 140790437
triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589115
[3-[3-carbazol-9-yl-5-[2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 176784997
triphenyl-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane
CID 170515042
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
CID 170516202

Frequently Asked Questions

What is the IUPAC name of [9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane?
The IUPAC name of [9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane (CID 170515024) is [9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane.
What is the SMILES notation for [9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane?
The canonical SMILES for [9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane is c1ccc(-c2ccc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc65)cc43)cc2)cc1.
What is the InChIKey of [9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane?
The InChIKey is FLVWGUSALQGLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3Si/c1-5-19-46(20-6-1)47-33-35-48(36-34-47)67-65-43-49(68-61-30-16-13-27-55(61)56-28-14-17-31-62(56)68)37-40-58(65)59-41-38-50(44-66(59)67)69-63-32-18-15-29-57(63)60-45-54(39-42-64(60)69)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 [9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane?
[9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-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 [9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane is sourced from PubChem (CID 170515024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).