[9-[6-(2,5-diphenylphenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane

C66H46N2Si — CID 174149154

IUPAC[9-[6-(2,5-diphenylphenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc65)ccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C66H46N2Si/c1-7-21-47(22-8-1)49-35-39-57(48-23-9-2-10-24-48)59(43-49)50-36-40-64-60(44-50)61-45-52(37-41-65(61)67(64)51-25-11-3-12-26-51)68-63-34-20-19-33-58(63)62-46-56(38-42-66(62)68)69(53-27-13-4-14-28-53,54-29-15-5-16-30-54)55-31-17-6-18-32-55/h1-46H
InChIKeyVFAQCHCXQOWSSO-UHFFFAOYSA-N
MW895.19 g/mol
LogP14.26
Rot. Bonds9

About [9-[6-(2,5-diphenylphenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane

[9-[6-(2,5-diphenylphenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane (PubChem CID 174149154) has the molecular formula C66H46N2Si and a molecular weight of 895.19 g/mol. Its IUPAC name is [9-[6-(2,5-diphenylphenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane.

Molecular Properties

Compound Name[9-[6-(2,5-diphenylphenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane
PubChem CID174149154
Molecular FormulaC66H46N2Si
Molecular Weight895.19 g/mol
Exact Mass894.34
IUPAC Name[9-[6-(2,5-diphenylphenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc65)ccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C66H46N2Si/c1-7-21-47(22-8-1)49-35-39-57(48-23-9-2-10-24-48)59(43-49)50-36-40-64-60(44-50)61-45-52(37-41-65(61)67(64)51-25-11-3-12-26-51)68-63-34-20-19-33-58(63)62-46-56(38-42-66(62)68)69(53-27-13-4-14-28-53,54-29-15-5-16-30-54)55-31-17-6-18-32-55/h1-46H
InChIKeyVFAQCHCXQOWSSO-UHFFFAOYSA-N
XLogP14.26
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.19
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170515813
triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 170516502
triphenyl-[9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-3-yl]silane
CID 140790437
triphenyl-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane
CID 147032702
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
[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-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane
CID 140782755
3-[9-[3-(2,4-diphenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 144560233
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
[9-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]-triphenylsilane
CID 170514986
[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

Frequently Asked Questions

What is the IUPAC name of [9-[6-(2,5-diphenylphenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane?
The IUPAC name of [9-[6-(2,5-diphenylphenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane (CID 174149154) is [9-[6-(2,5-diphenylphenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane.
What is the SMILES notation for [9-[6-(2,5-diphenylphenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane?
The canonical SMILES for [9-[6-(2,5-diphenylphenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane is c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc4c(c3)c3cc(-n5c6ccccc6c6cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc65)ccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of [9-[6-(2,5-diphenylphenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane?
The InChIKey is VFAQCHCXQOWSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2Si/c1-7-21-47(22-8-1)49-35-39-57(48-23-9-2-10-24-48)59(43-49)50-36-40-64-60(44-50)61-45-52(37-41-65(61)67(64)51-25-11-3-12-26-51)68-63-34-20-19-33-58(63)62-46-56(38-42-66(62)68)69(53-27-13-4-14-28-53,54-29-15-5-16-30-54)55-31-17-6-18-32-55/h1-46H.
What are the key properties of [9-[6-(2,5-diphenylphenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane?
[9-[6-(2,5-diphenylphenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane has a molecular weight of 895.19 g/mol, XLogP of 14.26, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[6-(2,5-diphenylphenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane is sourced from PubChem (CID 174149154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).