[9-(3-methoxy-5-methylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane

C56H45NOSi2 — CID 58131160

IUPAC[9-(3-methoxy-5-methylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane
SMILESCOc1cc(C)cc(-n2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)c1
InChIInChI=1S/C56H45NOSi2/c1-42-37-43(39-44(38-42)58-2)57-55-35-33-51(59(45-21-9-3-10-22-45,46-23-11-4-12-24-46)47-25-13-5-14-26-47)40-53(55)54-41-52(34-36-56(54)57)60(48-27-15-6-16-28-48,49-29-17-7-18-30-49)50-31-19-8-20-32-50/h3-41H,1-2H3
InChIKeyORZJZFMISNKSJB-UHFFFAOYSA-N
MW804.15 g/mol
LogP7.86
Rot. Bonds10

About [9-(3-methoxy-5-methylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane

[9-(3-methoxy-5-methylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane (PubChem CID 58131160) has the molecular formula C56H45NOSi2 and a molecular weight of 804.15 g/mol. Its IUPAC name is [9-(3-methoxy-5-methylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane.

Molecular Properties

Compound Name[9-(3-methoxy-5-methylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane
PubChem CID58131160
Molecular FormulaC56H45NOSi2
Molecular Weight804.15 g/mol
Exact Mass803.30
IUPAC Name[9-(3-methoxy-5-methylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane
SMILESCOc1cc(C)cc(-n2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)c1
InChIInChI=1S/C56H45NOSi2/c1-42-37-43(39-44(38-42)58-2)57-55-35-33-51(59(45-21-9-3-10-22-45,46-23-11-4-12-24-46)47-25-13-5-14-26-47)40-53(55)54-41-52(34-36-56(54)57)60(48-27-15-6-16-28-48,49-29-17-7-18-30-49)50-31-19-8-20-32-50/h3-41H,1-2H3
InChIKeyORZJZFMISNKSJB-UHFFFAOYSA-N
XLogP7.86
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.15
LogP ≤ 57.86
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-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane
CID 59469948
[9-(4-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811108
(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 158052706
[3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 174109179
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
[8-(3,6-dimethylcarbazol-9-yl)dibenzothiophen-2-yl]-triphenylsilane
CID 58049768
4-[[6-[(4-isocyanophenyl)-diphenylsilyl]-9-(4-methoxyphenyl)carbazol-3-yl]-diphenylsilyl]benzonitrile
CID 59469965
diphenyl-(9-phenyl-6-triphenylsilylcarbazol-3-yl)phosphane
CID 58049750
[9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane
CID 169052984
[6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-triphenylsilane
CID 87159557
[6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-tris(4-methylphenyl)silane
CID 87159620
[9-[4-[(E)-2-[4-(3-methylcarbazol-9-yl)phenyl]ethenyl]phenyl]carbazol-3-yl]-triphenylsilane
CID 159127596

Frequently Asked Questions

What is the IUPAC name of [9-(3-methoxy-5-methylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane?
The IUPAC name of [9-(3-methoxy-5-methylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane (CID 58131160) is [9-(3-methoxy-5-methylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane.
What is the SMILES notation for [9-(3-methoxy-5-methylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane?
The canonical SMILES for [9-(3-methoxy-5-methylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane is COc1cc(C)cc(-n2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)c1.
What is the InChIKey of [9-(3-methoxy-5-methylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane?
The InChIKey is ORZJZFMISNKSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45NOSi2/c1-42-37-43(39-44(38-42)58-2)57-55-35-33-51(59(45-21-9-3-10-22-45,46-23-11-4-12-24-46)47-25-13-5-14-26-47)40-53(55)54-41-52(34-36-56(54)57)60(48-27-15-6-16-28-48,49-29-17-7-18-30-49)50-31-19-8-20-32-50/h3-41H,1-2H3.
What are the key properties of [9-(3-methoxy-5-methylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane?
[9-(3-methoxy-5-methylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane has a molecular weight of 804.15 g/mol, XLogP of 7.86, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(3-methoxy-5-methylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane is sourced from PubChem (CID 58131160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).