[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane

C60H42N2Si — CID 171458759

IUPAC[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane
SMILESc1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5c(-c6ccccc6)cccc54)c3)cc2)cc1
InChIInChI=1S/C60H42N2Si/c1-5-19-43(20-6-1)44-35-38-50(39-36-44)63(48-24-9-3-10-25-48,49-26-11-4-12-27-49)51-28-17-23-46(41-51)62-58-40-37-47(61-56-32-15-13-29-53(56)54-30-14-16-33-57(54)61)42-55(58)60-52(31-18-34-59(60)62)45-21-7-2-8-22-45/h1-42H
InChIKeyHQPYDAMZPMRLLY-UHFFFAOYSA-N
MW819.10 g/mol
LogP12.59
Rot. Bonds8

About [3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane

[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane (PubChem CID 171458759) has the molecular formula C60H42N2Si and a molecular weight of 819.10 g/mol. Its IUPAC name is [3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane.

Molecular Properties

Compound Name[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane
PubChem CID171458759
Molecular FormulaC60H42N2Si
Molecular Weight819.10 g/mol
Exact Mass818.31
IUPAC Name[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane
SMILESc1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5c(-c6ccccc6)cccc54)c3)cc2)cc1
InChIInChI=1S/C60H42N2Si/c1-5-19-43(20-6-1)44-35-38-50(39-36-44)63(48-24-9-3-10-25-48,49-26-11-4-12-27-49)51-28-17-23-46(41-51)62-58-40-37-47(61-56-32-15-13-29-53(56)54-30-14-16-33-57(54)61)42-55(58)60-52(31-18-34-59(60)62)45-21-7-2-8-22-45/h1-42H
InChIKeyHQPYDAMZPMRLLY-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

(3-carbazol-9-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane
CID 171457919
triphenyl-[9-[5-phenyl-9-[3-[phenyl-bis(3-phenylphenyl)silyl]phenyl]carbazol-3-yl]carbazol-3-yl]silane
CID 171457989
diphenyl-(3-phenylphenyl)-[3-[5-phenyl-3-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]silane
CID 171458498
[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-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589061
[9-[9-(2,6-diphenylphenyl)-5-phenylcarbazol-3-yl]carbazol-2-yl]-triphenylsilane
CID 171458588
triphenyl-[4-[3-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 171458089
triphenyl-[6-(4-phenylcarbazol-9-yl)-9-(4-phenylphenyl)carbazol-4-yl]silane
CID 171457929
(3-carbazol-9-ylphenyl)-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane
CID 171458361
triphenyl-[9-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazol-4-yl]silane
CID 171458608
triphenyl-[4-[2-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589053
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345

Frequently Asked Questions

What is the IUPAC name of [3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane?
The IUPAC name of [3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane (CID 171458759) is [3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane.
What is the SMILES notation for [3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane?
The canonical SMILES for [3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane is c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5c(-c6ccccc6)cccc54)c3)cc2)cc1.
What is the InChIKey of [3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane?
The InChIKey is HQPYDAMZPMRLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2Si/c1-5-19-43(20-6-1)44-35-38-50(39-36-44)63(48-24-9-3-10-25-48,49-26-11-4-12-27-49)51-28-17-23-46(41-51)62-58-40-37-47(61-56-32-15-13-29-53(56)54-30-14-16-33-57(54)61)42-55(58)60-52(31-18-34-59(60)62)45-21-7-2-8-22-45/h1-42H.
What are the key properties of [3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane?
[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)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 [3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane is sourced from PubChem (CID 171458759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).