[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]-methoxy-diphenylsilane

C49H34N2OSSi — CID 171061198

IUPAC[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]-methoxy-diphenylsilane
SMILESCO[Si](c1ccccc1)(c1ccccc1)c1ccc2sc3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3c2c1
InChIInChI=1S/C49H34N2OSSi/c1-52-54(35-14-4-2-5-15-35,36-16-6-3-7-17-36)37-26-29-49-43(32-37)42-31-34(25-28-48(42)53-49)51-46-23-13-10-20-40(46)41-30-33(24-27-47(41)51)50-44-21-11-8-18-38(44)39-19-9-12-22-45(39)50/h2-32H,1H3
InChIKeyLCGSCBMCUNDLNL-UHFFFAOYSA-N
MW726.98 g/mol
LogP10.86
Rot. Bonds6

About [8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]-methoxy-diphenylsilane

[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]-methoxy-diphenylsilane (PubChem CID 171061198) has the molecular formula C49H34N2OSSi and a molecular weight of 726.98 g/mol. Its IUPAC name is [8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]-methoxy-diphenylsilane.

Molecular Properties

Compound Name[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]-methoxy-diphenylsilane
PubChem CID171061198
Molecular FormulaC49H34N2OSSi
Molecular Weight726.98 g/mol
Exact Mass726.22
IUPAC Name[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]-methoxy-diphenylsilane
SMILESCO[Si](c1ccccc1)(c1ccccc1)c1ccc2sc3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3c2c1
InChIInChI=1S/C49H34N2OSSi/c1-52-54(35-14-4-2-5-15-35,36-16-6-3-7-17-36)37-26-29-49-43(32-37)42-31-34(25-28-48(42)53-49)51-46-23-13-10-20-40(46)41-30-33(24-27-47(41)51)50-44-21-11-8-18-38(44)39-19-9-12-22-45(39)50/h2-32H,1H3
InChIKeyLCGSCBMCUNDLNL-UHFFFAOYSA-N
XLogP10.86
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.98
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170779721
9-[8-(3-trimethylsilylcarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile
CID 158327543
[9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane
CID 164756561
[8-(3,6-dimethylcarbazol-9-yl)dibenzothiophen-2-yl]-triphenylsilane
CID 58049768
[9-([1]benzothiolo[2,3-c]pyridin-1-yl)carbazol-3-yl]-methoxy-diphenylsilane
CID 155603041
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
CID 144619443
CID 144619443
3-(8-carbazol-9-yldibenzothiophen-2-yl)-9-phenylcarbazole;ethane;methanethiol
CID 144644614
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;ethane;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 144750087

Frequently Asked Questions

What is the IUPAC name of [8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]-methoxy-diphenylsilane?
The IUPAC name of [8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]-methoxy-diphenylsilane (CID 171061198) is [8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]-methoxy-diphenylsilane.
What is the SMILES notation for [8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]-methoxy-diphenylsilane?
The canonical SMILES for [8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]-methoxy-diphenylsilane is CO[Si](c1ccccc1)(c1ccccc1)c1ccc2sc3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3c2c1.
What is the InChIKey of [8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]-methoxy-diphenylsilane?
The InChIKey is LCGSCBMCUNDLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2OSSi/c1-52-54(35-14-4-2-5-15-35,36-16-6-3-7-17-36)37-26-29-49-43(32-37)42-31-34(25-28-48(42)53-49)51-46-23-13-10-20-40(46)41-30-33(24-27-47(41)51)50-44-21-11-8-18-38(44)39-19-9-12-22-45(39)50/h2-32H,1H3.
What are the key properties of [8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]-methoxy-diphenylsilane?
[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]-methoxy-diphenylsilane has a molecular weight of 726.98 g/mol, XLogP of 10.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]-methoxy-diphenylsilane is sourced from PubChem (CID 171061198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).