(3-carbazol-9-ylphenyl)-[3-[3-ethenyl-2-(2-methyl-1-benzofuran-3-yl)indol-1-yl]phenyl]-diphenylsilane

C55H40N2OSi — CID 174070566

IUPAC(3-carbazol-9-ylphenyl)-[3-[3-ethenyl-2-(2-methyl-1-benzofuran-3-yl)indol-1-yl]phenyl]-diphenylsilane
SMILESC=Cc1c(-c2c(C)oc3ccccc23)n(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c2ccccc12
InChIInChI=1S/C55H40N2OSi/c1-3-45-46-28-10-16-34-52(46)57(55(45)54-38(2)58-53-35-17-13-31-49(53)54)40-21-19-27-44(37-40)59(41-22-6-4-7-23-41,42-24-8-5-9-25-42)43-26-18-20-39(36-43)56-50-32-14-11-29-47(50)48-30-12-15-33-51(48)56/h3-37H,1H2,2H3
InChIKeyZIEKGMISRGYJJO-UHFFFAOYSA-N
MW773.02 g/mol
LogP11.47
Rot. Bonds8

About (3-carbazol-9-ylphenyl)-[3-[3-ethenyl-2-(2-methyl-1-benzofuran-3-yl)indol-1-yl]phenyl]-diphenylsilane

(3-carbazol-9-ylphenyl)-[3-[3-ethenyl-2-(2-methyl-1-benzofuran-3-yl)indol-1-yl]phenyl]-diphenylsilane (PubChem CID 174070566) has the molecular formula C55H40N2OSi and a molecular weight of 773.02 g/mol. Its IUPAC name is (3-carbazol-9-ylphenyl)-[3-[3-ethenyl-2-(2-methyl-1-benzofuran-3-yl)indol-1-yl]phenyl]-diphenylsilane.

Molecular Properties

Compound Name(3-carbazol-9-ylphenyl)-[3-[3-ethenyl-2-(2-methyl-1-benzofuran-3-yl)indol-1-yl]phenyl]-diphenylsilane
PubChem CID174070566
Molecular FormulaC55H40N2OSi
Molecular Weight773.02 g/mol
Exact Mass772.29
IUPAC Name(3-carbazol-9-ylphenyl)-[3-[3-ethenyl-2-(2-methyl-1-benzofuran-3-yl)indol-1-yl]phenyl]-diphenylsilane
SMILESC=Cc1c(-c2c(C)oc3ccccc23)n(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c2ccccc12
InChIInChI=1S/C55H40N2OSi/c1-3-45-46-28-10-16-34-52(46)57(55(45)54-38(2)58-53-35-17-13-31-49(53)54)40-21-19-27-44(37-40)59(41-22-6-4-7-23-41,42-24-8-5-9-25-42)43-26-18-20-39(36-43)56-50-32-14-11-29-47(50)48-30-12-15-33-51(48)56/h3-37H,1H2,2H3
InChIKeyZIEKGMISRGYJJO-UHFFFAOYSA-N
XLogP11.47
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.02
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-triphenylsilane
CID 58926933
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane;[3-(3-carbazol-9-yl-6-trimethylsilylcarbazol-9-yl)phenyl]-triphenylsilane;[3-(3-carbazol-9-yl-6-triphenylsilylcarbazol-9-yl)phenyl]-triphenylsilane
CID 165013153
(3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane
CID 177073528
[3-[(E)-2-(8-carbazol-9-yldibenzofuran-2-yl)ethenyl]phenyl]-triphenylsilane
CID 140702791
[3-[2-(2-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588280
[3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588993
diphenyl-(9-phenylcarbazol-2-yl)-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]silane
CID 140842640
dibenzofuran-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 170779740
[3-(1-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-triphenylsilane
CID 177073497
[3-[2-(3-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588714
[3-[3-(2-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588854
triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588700

Frequently Asked Questions

What is the IUPAC name of (3-carbazol-9-ylphenyl)-[3-[3-ethenyl-2-(2-methyl-1-benzofuran-3-yl)indol-1-yl]phenyl]-diphenylsilane?
The IUPAC name of (3-carbazol-9-ylphenyl)-[3-[3-ethenyl-2-(2-methyl-1-benzofuran-3-yl)indol-1-yl]phenyl]-diphenylsilane (CID 174070566) is (3-carbazol-9-ylphenyl)-[3-[3-ethenyl-2-(2-methyl-1-benzofuran-3-yl)indol-1-yl]phenyl]-diphenylsilane.
What is the SMILES notation for (3-carbazol-9-ylphenyl)-[3-[3-ethenyl-2-(2-methyl-1-benzofuran-3-yl)indol-1-yl]phenyl]-diphenylsilane?
The canonical SMILES for (3-carbazol-9-ylphenyl)-[3-[3-ethenyl-2-(2-methyl-1-benzofuran-3-yl)indol-1-yl]phenyl]-diphenylsilane is C=Cc1c(-c2c(C)oc3ccccc23)n(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c2ccccc12.
What is the InChIKey of (3-carbazol-9-ylphenyl)-[3-[3-ethenyl-2-(2-methyl-1-benzofuran-3-yl)indol-1-yl]phenyl]-diphenylsilane?
The InChIKey is ZIEKGMISRGYJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2OSi/c1-3-45-46-28-10-16-34-52(46)57(55(45)54-38(2)58-53-35-17-13-31-49(53)54)40-21-19-27-44(37-40)59(41-22-6-4-7-23-41,42-24-8-5-9-25-42)43-26-18-20-39(36-43)56-50-32-14-11-29-47(50)48-30-12-15-33-51(48)56/h3-37H,1H2,2H3.
What are the key properties of (3-carbazol-9-ylphenyl)-[3-[3-ethenyl-2-(2-methyl-1-benzofuran-3-yl)indol-1-yl]phenyl]-diphenylsilane?
(3-carbazol-9-ylphenyl)-[3-[3-ethenyl-2-(2-methyl-1-benzofuran-3-yl)indol-1-yl]phenyl]-diphenylsilane has a molecular weight of 773.02 g/mol, XLogP of 11.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbazol-9-ylphenyl)-[3-[3-ethenyl-2-(2-methyl-1-benzofuran-3-yl)indol-1-yl]phenyl]-diphenylsilane is sourced from PubChem (CID 174070566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).