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

C60H42N2Si — CID 170516404

IUPAC[9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cccc65)cc43)c2)cc1
InChIInChI=1S/C60H42N2Si/c1-6-21-43(22-7-1)45-37-39-50(44-23-8-2-9-24-44)57(41-45)62-54-33-18-16-31-51(54)52-40-38-46(42-58(52)62)61-55-34-19-17-32-53(55)60-56(61)35-20-36-59(60)63(47-25-10-3-11-26-47,48-27-12-4-13-28-48)49-29-14-5-15-30-49/h1-42H
InChIKeyGGFPYUHBHXRZTH-UHFFFAOYSA-N
MW819.10 g/mol
LogP12.59
Rot. Bonds8

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

[9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane (PubChem CID 170516404) has the molecular formula C60H42N2Si and a molecular weight of 819.10 g/mol. Its IUPAC name is [9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane.

Molecular Properties

Compound Name[9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
PubChem CID170516404
Molecular FormulaC60H42N2Si
Molecular Weight819.10 g/mol
Exact Mass818.31
IUPAC Name[9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cccc65)cc43)c2)cc1
InChIInChI=1S/C60H42N2Si/c1-6-21-43(22-7-1)45-37-39-50(44-23-8-2-9-24-44)57(41-45)62-54-33-18-16-31-51(54)52-40-38-46(42-58(52)62)61-55-34-19-17-32-53(55)60-56(61)35-20-36-59(60)63(47-25-10-3-11-26-47,48-27-12-4-13-28-48)49-29-14-5-15-30-49/h1-42H
InChIKeyGGFPYUHBHXRZTH-UHFFFAOYSA-N
XLogP12.59
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.10
LogP ≤ 512.59
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

diphenyl-(3-phenylphenyl)-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
CID 171458387
[9-[5-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170516363
[8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170516471
triphenyl-[8-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
CID 170516013
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-2-yl]-triphenylsilane
CID 170516383
triphenyl-[7-phenyl-9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane
CID 170515100
triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane
CID 170516222
triphenyl-[8-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane
CID 170515546
[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane
CID 171458247
triphenyl-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane
CID 171457929
triphenyl-[9-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-4-yl]silane
CID 171458608

Frequently Asked Questions

What is the IUPAC name of [9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane?
The IUPAC name of [9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane (CID 170516404) is [9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane.
What is the SMILES notation for [9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane?
The canonical SMILES for [9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane is c1ccc(-c2ccc(-c3ccccc3)c(-n3c4ccccc4c4ccc(-n5c6ccccc6c6c([Si](c7ccccc7)(c7ccccc7)c7ccccc7)cccc65)cc43)c2)cc1.
What is the InChIKey of [9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane?
The InChIKey is GGFPYUHBHXRZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2Si/c1-6-21-43(22-7-1)45-37-39-50(44-23-8-2-9-24-44)57(41-45)62-54-33-18-16-31-51(54)52-40-38-46(42-58(52)62)61-55-34-19-17-32-53(55)60-56(61)35-20-36-59(60)63(47-25-10-3-11-26-47,48-27-12-4-13-28-48)49-29-14-5-15-30-49/h1-42H.
What are the key properties of [9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane?
[9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane has a molecular weight of 819.10 g/mol, XLogP of 12.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane is sourced from PubChem (CID 170516404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).