diphenyl-(9-phenylcarbazol-3-yl)-[9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane

C66H45N3Si — CID 171458283

IUPACdiphenyl-(9-phenylcarbazol-3-yl)-[9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6c([Si](c7ccccc7)(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cccc65)c43)cc2)cc1
InChIInChI=1S/C66H45N3Si/c1-5-21-46(22-6-1)47-39-41-49(42-40-47)68-59-34-17-13-29-53(59)55-32-19-37-63(66(55)68)69-60-35-18-15-31-56(60)65-62(69)36-20-38-64(65)70(50-25-9-3-10-26-50,51-27-11-4-12-28-51)52-43-44-61-57(45-52)54-30-14-16-33-58(54)67(61)48-23-7-2-8-24-48/h1-45H
InChIKeyXUTPSQURJDJTQS-UHFFFAOYSA-N
MW908.19 g/mol
LogP14.02
Rot. Bonds8

About diphenyl-(9-phenylcarbazol-3-yl)-[9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane

diphenyl-(9-phenylcarbazol-3-yl)-[9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane (PubChem CID 171458283) has the molecular formula C66H45N3Si and a molecular weight of 908.19 g/mol. Its IUPAC name is diphenyl-(9-phenylcarbazol-3-yl)-[9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane.

Molecular Properties

Compound Namediphenyl-(9-phenylcarbazol-3-yl)-[9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane
PubChem CID171458283
Molecular FormulaC66H45N3Si
Molecular Weight908.19 g/mol
Exact Mass907.34
IUPAC Namediphenyl-(9-phenylcarbazol-3-yl)-[9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6c([Si](c7ccccc7)(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cccc65)c43)cc2)cc1
InChIInChI=1S/C66H45N3Si/c1-5-21-46(22-6-1)47-39-41-49(42-40-47)68-59-34-17-13-29-53(59)55-32-19-37-63(66(55)68)69-60-35-18-15-31-56(60)65-62(69)36-20-38-64(65)70(50-25-9-3-10-26-50,51-27-11-4-12-28-51)52-43-44-61-57(45-52)54-30-14-16-33-58(54)67(61)48-23-7-2-8-24-48/h1-45H
InChIKeyXUTPSQURJDJTQS-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-[8-carbazol-9-yl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]-triphenylsilane
CID 170515914
triphenyl-[7-phenyl-9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane
CID 170515100
[8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170516471
triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane
CID 170516222
[8-carbazol-9-yl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane
CID 170515814
[5-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-1-yl]-triphenylsilane
CID 170515407
triphenyl-[3-[4-[1-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588340
[9-(5-carbazol-9-yl-9-phenylcarbazol-1-yl)carbazol-4-yl]-triphenylsilane
CID 170515290
[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane
CID 171458247
(3-carbazol-9-ylphenyl)-diphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane
CID 171458575
(3-carbazol-9-ylphenyl)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane
CID 171458462
diphenyl-(3-phenylphenyl)-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane
CID 171458393

Frequently Asked Questions

What is the IUPAC name of diphenyl-(9-phenylcarbazol-3-yl)-[9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane?
The IUPAC name of diphenyl-(9-phenylcarbazol-3-yl)-[9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane (CID 171458283) is diphenyl-(9-phenylcarbazol-3-yl)-[9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane.
What is the SMILES notation for diphenyl-(9-phenylcarbazol-3-yl)-[9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane?
The canonical SMILES for diphenyl-(9-phenylcarbazol-3-yl)-[9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane is c1ccc(-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6c([Si](c7ccccc7)(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cccc65)c43)cc2)cc1.
What is the InChIKey of diphenyl-(9-phenylcarbazol-3-yl)-[9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane?
The InChIKey is XUTPSQURJDJTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3Si/c1-5-21-46(22-6-1)47-39-41-49(42-40-47)68-59-34-17-13-29-53(59)55-32-19-37-63(66(55)68)69-60-35-18-15-31-56(60)65-62(69)36-20-38-64(65)70(50-25-9-3-10-26-50,51-27-11-4-12-28-51)52-43-44-61-57(45-52)54-30-14-16-33-58(54)67(61)48-23-7-2-8-24-48/h1-45H.
What are the key properties of diphenyl-(9-phenylcarbazol-3-yl)-[9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane?
diphenyl-(9-phenylcarbazol-3-yl)-[9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]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 diphenyl-(9-phenylcarbazol-3-yl)-[9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane is sourced from PubChem (CID 171458283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).