[3-[3-[2-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane

C60H48N2Si — CID 176779818

IUPAC[3-[3-[2-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7cc(C8CCCCC8)ccc76)cc54)c3)c2)cc1
InChIInChI=1S/C60H48N2Si/c1-5-19-43(20-6-1)46-35-38-59-56(41-46)54-32-14-16-34-58(54)61(59)48-36-37-55-53-31-13-15-33-57(53)62(60(55)42-48)47-23-17-21-44(39-47)45-22-18-30-52(40-45)63(49-24-7-2-8-25-49,50-26-9-3-10-27-50)51-28-11-4-12-29-51/h2-4,7-18,21-43H,1,5-6,19-20H2
InChIKeyNZHUONFOFGDCRM-UHFFFAOYSA-N
MW825.14 g/mol
LogP12.97
Rot. Bonds8

About [3-[3-[2-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane

[3-[3-[2-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane (PubChem CID 176779818) has the molecular formula C60H48N2Si and a molecular weight of 825.14 g/mol. Its IUPAC name is [3-[3-[2-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-[3-[2-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
PubChem CID176779818
Molecular FormulaC60H48N2Si
Molecular Weight825.14 g/mol
Exact Mass824.36
IUPAC Name[3-[3-[2-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7cc(C8CCCCC8)ccc76)cc54)c3)c2)cc1
InChIInChI=1S/C60H48N2Si/c1-5-19-43(20-6-1)46-35-38-59-56(41-46)54-32-14-16-34-58(54)61(59)48-36-37-55-53-31-13-15-33-57(53)62(60(55)42-48)47-23-17-21-44(39-47)45-22-18-30-52(40-45)63(49-24-7-2-8-25-49,50-26-9-3-10-27-50)51-28-11-4-12-29-51/h2-4,7-18,21-43H,1,5-6,19-20H2
InChIKeyNZHUONFOFGDCRM-UHFFFAOYSA-N
XLogP12.97
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.14
LogP ≤ 512.97
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-[4-[3-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 176779773
[4-[2-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(4-phenylphenyl)silane
CID 176779671
[4-[3-[1-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 176779800
[4-[2-(4-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 176779700
[3-[3-carbazol-9-yl-5-[2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 176784997
2-[9-(4-cyclohexylphenyl)carbazol-3-yl]-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 140916221
3,6-dicyclohexyl-9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;bis(9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole)
CID 159010237
triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane
CID 140782755
[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 90773884
[3-[3-carbazol-9-yl-5-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-(3,5-diphenylphenyl)-diphenylsilane
CID 176784938
triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
CID 170516202
triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane
CID 166589020

Frequently Asked Questions

What is the IUPAC name of [3-[3-[2-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane?
The IUPAC name of [3-[3-[2-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane (CID 176779818) is [3-[3-[2-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-[3-[2-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane?
The canonical SMILES for [3-[3-[2-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7cc(C8CCCCC8)ccc76)cc54)c3)c2)cc1.
What is the InChIKey of [3-[3-[2-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane?
The InChIKey is NZHUONFOFGDCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N2Si/c1-5-19-43(20-6-1)46-35-38-59-56(41-46)54-32-14-16-34-58(54)61(59)48-36-37-55-53-31-13-15-33-57(53)62(60(55)42-48)47-23-17-21-44(39-47)45-22-18-30-52(40-45)63(49-24-7-2-8-25-49,50-26-9-3-10-27-50)51-28-11-4-12-29-51/h2-4,7-18,21-43H,1,5-6,19-20H2.
What are the key properties of [3-[3-[2-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane?
[3-[3-[2-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane has a molecular weight of 825.14 g/mol, XLogP of 12.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[2-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane is sourced from PubChem (CID 176779818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).