[9-[5-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane

C66H45N3Si — CID 170516363

IUPAC[9-[5-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
SMILESc1ccc(-c2ccccc2-n2c3cc(-n4c5ccccc5c5c([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cccc54)ccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)cc1
InChIInChI=1S/C66H45N3Si/c1-5-23-46(24-6-1)51-31-13-17-35-56(51)69-61-40-21-39-60(68-57-36-18-14-32-52(57)53-33-15-19-37-58(53)68)65(61)55-44-43-47(45-63(55)69)67-59-38-20-16-34-54(59)66-62(67)41-22-42-64(66)70(48-25-7-2-8-26-48,49-27-9-3-10-28-49)50-29-11-4-12-30-50/h1-45H
InChIKeyYPGLCAOEYYELHH-UHFFFAOYSA-N
MW908.19 g/mol
LogP14.02
Rot. Bonds8

About [9-[5-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane

[9-[5-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane (PubChem CID 170516363) has the molecular formula C66H45N3Si and a molecular weight of 908.19 g/mol. Its IUPAC name is [9-[5-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane.

Molecular Properties

Compound Name[9-[5-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
PubChem CID170516363
Molecular FormulaC66H45N3Si
Molecular Weight908.19 g/mol
Exact Mass907.34
IUPAC Name[9-[5-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
SMILESc1ccc(-c2ccccc2-n2c3cc(-n4c5ccccc5c5c([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cccc54)ccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)cc1
InChIInChI=1S/C66H45N3Si/c1-5-23-46(24-6-1)51-31-13-17-35-56(51)69-61-40-21-39-60(68-57-36-18-14-32-52(57)53-33-15-19-37-58(53)68)65(61)55-44-43-47(45-63(55)69)67-59-38-20-16-34-54(59)66-62(67)41-22-42-64(66)70(48-25-7-2-8-26-48,49-27-9-3-10-28-49)50-29-11-4-12-30-50/h1-45H
InChIKeyYPGLCAOEYYELHH-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

diphenyl-(3-phenylphenyl)-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
CID 171458387
triphenyl-[9-[8-phenyl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
CID 170515756
[9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170516404
triphenyl-[9-[5-phenyl-9-(2-phenylphenyl)carbazol-3-yl]carbazol-4-yl]silane
CID 171458587
triphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane
CID 170515546
triphenyl-[8-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
CID 170516013
[8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170516471
triphenyl-[8-phenyl-9-(9-phenylcarbazol-4-yl)carbazol-4-yl]silane
CID 170516087
[9-(5,9-diphenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane
CID 170516212
[4-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588500
triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]silane
CID 170515899
[3-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588646

Frequently Asked Questions

What is the IUPAC name of [9-[5-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane?
The IUPAC name of [9-[5-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane (CID 170516363) is [9-[5-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane.
What is the SMILES notation for [9-[5-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane?
The canonical SMILES for [9-[5-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane is c1ccc(-c2ccccc2-n2c3cc(-n4c5ccccc5c5c([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cccc54)ccc3c3c(-n4c5ccccc5c5ccccc54)cccc32)cc1.
What is the InChIKey of [9-[5-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane?
The InChIKey is YPGLCAOEYYELHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3Si/c1-5-23-46(24-6-1)51-31-13-17-35-56(51)69-61-40-21-39-60(68-57-36-18-14-32-52(57)53-33-15-19-37-58(53)68)65(61)55-44-43-47(45-63(55)69)67-59-38-20-16-34-54(59)66-62(67)41-22-42-64(66)70(48-25-7-2-8-26-48,49-27-9-3-10-28-49)50-29-11-4-12-30-50/h1-45H.
What are the key properties of [9-[5-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane?
[9-[5-carbazol-9-yl-9-(2-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 [9-[5-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane is sourced from PubChem (CID 170516363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).