[4-[2-(4-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane

C60H48N2Si — CID 176779700

IUPAC[4-[2-(4-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
SMILESc1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7c(C8CCCCC8)cccc76)cc54)cc3)c2)cc1
InChIInChI=1S/C60H48N2Si/c1-5-19-43(20-6-1)45-23-17-28-51(41-45)63(48-24-9-3-10-25-48,49-26-11-4-12-27-49)50-38-35-46(36-39-50)61-56-32-15-13-29-53(56)54-40-37-47(42-59(54)61)62-57-33-16-14-30-55(57)60-52(31-18-34-58(60)62)44-21-7-2-8-22-44/h1,3-6,9-20,23-42,44H,2,7-8,21-22H2
InChIKeyLFNYOSAFPLHZGA-UHFFFAOYSA-N
MW825.14 g/mol
LogP12.97
Rot. Bonds8

About [4-[2-(4-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane

[4-[2-(4-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane (PubChem CID 176779700) has the molecular formula C60H48N2Si and a molecular weight of 825.14 g/mol. Its IUPAC name is [4-[2-(4-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane.

Molecular Properties

Compound Name[4-[2-(4-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
PubChem CID176779700
Molecular FormulaC60H48N2Si
Molecular Weight825.14 g/mol
Exact Mass824.36
IUPAC Name[4-[2-(4-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
SMILESc1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7c(C8CCCCC8)cccc76)cc54)cc3)c2)cc1
InChIInChI=1S/C60H48N2Si/c1-5-19-43(20-6-1)45-23-17-28-51(41-45)63(48-24-9-3-10-25-48,49-26-11-4-12-27-49)50-38-35-46(36-39-50)61-56-32-15-13-29-53(56)54-40-37-47(42-59(54)61)62-57-33-16-14-30-55(57)60-52(31-18-34-58(60)62)44-21-7-2-8-22-44/h1,3-6,9-20,23-42,44H,2,7-8,21-22H2
InChIKeyLFNYOSAFPLHZGA-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

[4-[2-(1-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 176779791
[4-[2-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(4-phenylphenyl)silane
CID 176779671
[3-[4-[3-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 176779773
[3-[3-[2-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 176779818
[4-[3-(4-cyclohexylcarbazol-9-yl)-1,2,4,5,6,7,8-heptadeuteriocarbazol-9-yl]phenyl]-triphenylsilane
CID 176779669
triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
CID 170516202
[9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane
CID 170515024
[4-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588500
triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589115
[3-[3-carbazol-9-yl-5-[2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 176784997
triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588700
triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 170516502

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane?
The IUPAC name of [4-[2-(4-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane (CID 176779700) is [4-[2-(4-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane.
What is the SMILES notation for [4-[2-(4-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane?
The canonical SMILES for [4-[2-(4-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane is c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7c(C8CCCCC8)cccc76)cc54)cc3)c2)cc1.
What is the InChIKey of [4-[2-(4-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane?
The InChIKey is LFNYOSAFPLHZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N2Si/c1-5-19-43(20-6-1)45-23-17-28-51(41-45)63(48-24-9-3-10-25-48,49-26-11-4-12-27-49)50-38-35-46(36-39-50)61-56-32-15-13-29-53(56)54-40-37-47(42-59(54)61)62-57-33-16-14-30-55(57)60-52(31-18-34-58(60)62)44-21-7-2-8-22-44/h1,3-6,9-20,23-42,44H,2,7-8,21-22H2.
What are the key properties of [4-[2-(4-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane?
[4-[2-(4-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane 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 [4-[2-(4-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane is sourced from PubChem (CID 176779700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).