[4-[2-(1-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane

C54H44N2Si — CID 176779791

IUPAC[4-[2-(1-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6cccc(C7CCCCC7)c65)cc43)cc2)cc1
InChIInChI=1S/C54H44N2Si/c1-5-18-39(19-6-1)46-28-17-29-50-48-27-14-16-31-52(48)56(54(46)50)41-34-37-49-47-26-13-15-30-51(47)55(53(49)38-41)40-32-35-45(36-33-40)57(42-20-7-2-8-21-42,43-22-9-3-10-23-43)44-24-11-4-12-25-44/h2-4,7-17,20-39H,1,5-6,18-19H2
InChIKeyCWSJQMVGWRSTPN-UHFFFAOYSA-N
MW749.05 g/mol
LogP11.31
Rot. Bonds7

About [4-[2-(1-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane

[4-[2-(1-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 176779791) has the molecular formula C54H44N2Si and a molecular weight of 749.05 g/mol. Its IUPAC name is [4-[2-(1-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[4-[2-(1-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
PubChem CID176779791
Molecular FormulaC54H44N2Si
Molecular Weight749.05 g/mol
Exact Mass748.33
IUPAC Name[4-[2-(1-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6cccc(C7CCCCC7)c65)cc43)cc2)cc1
InChIInChI=1S/C54H44N2Si/c1-5-18-39(19-6-1)46-28-17-29-50-48-27-14-16-31-52(48)56(54(46)50)41-34-37-49-47-26-13-15-30-51(47)55(53(49)38-41)40-32-35-45(36-33-40)57(42-20-7-2-8-21-42,43-22-9-3-10-23-43)44-24-11-4-12-25-44/h2-4,7-17,20-39H,1,5-6,18-19H2
InChIKeyCWSJQMVGWRSTPN-UHFFFAOYSA-N
XLogP11.31
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.05
LogP ≤ 511.31
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-(4-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 176779700
[4-[2-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenyl-(4-phenylphenyl)silane
CID 176779671
[8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-triphenylsilane
CID 170516283
[7-carbazol-9-yl-9-(9-phenylcarbazol-1-yl)carbazol-2-yl]-triphenylsilane
CID 170515020
[8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane
CID 170516287
[3-[3-[2-(3-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 176779818
triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588700
[3-[4-[3-(2-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 176779773
triphenyl-[4-[2-[1-(2-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588219
triphenyl-[9-[8-phenyl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
CID 170516312
diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane
CID 88576991
triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589115

Frequently Asked Questions

What is the IUPAC name of [4-[2-(1-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The IUPAC name of [4-[2-(1-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (CID 176779791) is [4-[2-(1-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [4-[2-(1-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The canonical SMILES for [4-[2-(1-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6cccc(C7CCCCC7)c65)cc43)cc2)cc1.
What is the InChIKey of [4-[2-(1-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
The InChIKey is CWSJQMVGWRSTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44N2Si/c1-5-18-39(19-6-1)46-28-17-29-50-48-27-14-16-31-52(48)56(54(46)50)41-34-37-49-47-26-13-15-30-51(47)55(53(49)38-41)40-32-35-45(36-33-40)57(42-20-7-2-8-21-42,43-22-9-3-10-23-43)44-24-11-4-12-25-44/h2-4,7-17,20-39H,1,5-6,18-19H2.
What are the key properties of [4-[2-(1-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?
[4-[2-(1-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 749.05 g/mol, XLogP of 11.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1-cyclohexylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 176779791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).