triphenyl-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane

C60H42N2Si — CID 171457929

IUPACtriphenyl-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane
SMILESc1ccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)cc4c4c([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cccc43)cc2)cc1
InChIInChI=1S/C60H42N2Si/c1-6-20-43(21-7-1)44-36-38-46(39-37-44)61-55-41-40-47(62-54-32-17-16-30-52(54)59-51(31-18-33-56(59)62)45-22-8-2-9-23-45)42-53(55)60-57(61)34-19-35-58(60)63(48-24-10-3-11-25-48,49-26-12-4-13-27-49)50-28-14-5-15-29-50/h1-42H
InChIKeyXLCQUXBFOGHLRF-UHFFFAOYSA-N
MW819.10 g/mol
LogP12.59
Rot. Bonds8

About triphenyl-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane

triphenyl-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane (PubChem CID 171457929) has the molecular formula C60H42N2Si and a molecular weight of 819.10 g/mol. Its IUPAC name is triphenyl-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane.

Molecular Properties

Compound Nametriphenyl-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane
PubChem CID171457929
Molecular FormulaC60H42N2Si
Molecular Weight819.10 g/mol
Exact Mass818.31
IUPAC Nametriphenyl-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane
SMILESc1ccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)cc4c4c([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cccc43)cc2)cc1
InChIInChI=1S/C60H42N2Si/c1-6-20-43(21-7-1)44-36-38-46(39-37-44)61-55-41-40-47(62-54-32-17-16-30-52(54)59-51(31-18-33-56(59)62)45-22-8-2-9-23-45)42-53(55)60-57(61)34-19-35-58(60)63(48-24-10-3-11-25-48,49-26-12-4-13-27-49)50-28-14-5-15-29-50/h1-42H
InChIKeyXLCQUXBFOGHLRF-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

triphenyl-[9-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-4-yl]silane
CID 171458608
triphenyl-[9-[5-phenyl-9-(2-phenylphenyl)carbazol-3-yl]carbazol-4-yl]silane
CID 171458587
[6-carbazol-9-yl-9-(4-phenylphenyl)carbazol-4-yl]-triphenylsilane
CID 171458247
diphenyl-(3-phenylphenyl)-[3-[5-phenyl-3-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]silane
CID 171458498
[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane
CID 171458759
triphenyl-[8-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]silane
CID 170516013
[9-[9-[4-[diphenyl-(4-phenylphenyl)silyl]-2,6-diphenylphenyl]carbazol-3-yl]carbazol-4-yl]-triphenylsilane
CID 168762404
[9-(5,9-diphenylcarbazol-4-yl)carbazol-4-yl]-triphenylsilane
CID 170516212
(3-carbazol-9-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane
CID 171457919
(3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane
CID 171458361
triphenyl-[4-[3-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 171458089
[9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170516404

Frequently Asked Questions

What is the IUPAC name of triphenyl-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane?
The IUPAC name of triphenyl-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane (CID 171457929) is triphenyl-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane.
What is the SMILES notation for triphenyl-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane?
The canonical SMILES for triphenyl-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane is c1ccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)cc4c4c([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cccc43)cc2)cc1.
What is the InChIKey of triphenyl-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane?
The InChIKey is XLCQUXBFOGHLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2Si/c1-6-20-43(21-7-1)44-36-38-46(39-37-44)61-55-41-40-47(62-54-32-17-16-30-52(54)59-51(31-18-33-56(59)62)45-22-8-2-9-23-45)42-53(55)60-57(61)34-19-35-58(60)63(48-24-10-3-11-25-48,49-26-12-4-13-27-49)50-28-14-5-15-29-50/h1-42H.
What are the key properties of triphenyl-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane?
triphenyl-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane 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 triphenyl-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane is sourced from PubChem (CID 171457929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).