[4-(7H-fluoreno[4,3-b][1]benzothiol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane

C55H37NSSi — CID 167382823

IUPAC[4-(7H-fluoreno[4,3-b][1]benzothiol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane
SMILESc1ccc(-n2c3ccccc3c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc(C5c6ccccc6-c6c5ccc5c6sc6ccccc65)cc4)c32)cc1
InChIInChI=1S/C55H37NSSi/c1-4-17-38(18-5-1)56-49-28-14-12-23-42(49)46-27-16-30-51(54(46)56)58(39-19-6-2-7-20-39,40-21-8-3-9-22-40)41-33-31-37(32-34-41)52-44-25-10-11-26-45(44)53-48(52)36-35-47-43-24-13-15-29-50(43)57-55(47)53/h1-36,52H
InChIKeyFLYWMDVOLBQXBI-UHFFFAOYSA-N
MW772.06 g/mol
LogP11.69
Rot. Bonds6

About [4-(7H-fluoreno[4,3-b][1]benzothiol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane

[4-(7H-fluoreno[4,3-b][1]benzothiol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane (PubChem CID 167382823) has the molecular formula C55H37NSSi and a molecular weight of 772.06 g/mol. Its IUPAC name is [4-(7H-fluoreno[4,3-b][1]benzothiol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane.

Molecular Properties

Compound Name[4-(7H-fluoreno[4,3-b][1]benzothiol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane
PubChem CID167382823
Molecular FormulaC55H37NSSi
Molecular Weight772.06 g/mol
Exact Mass771.24
IUPAC Name[4-(7H-fluoreno[4,3-b][1]benzothiol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane
SMILESc1ccc(-n2c3ccccc3c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc(C5c6ccccc6-c6c5ccc5c6sc6ccccc65)cc4)c32)cc1
InChIInChI=1S/C55H37NSSi/c1-4-17-38(18-5-1)56-49-28-14-12-23-42(49)46-27-16-30-51(54(46)56)58(39-19-6-2-7-20-39,40-21-8-3-9-22-40)41-33-31-37(32-34-41)52-44-25-10-11-26-45(44)53-48(52)36-35-47-43-24-13-15-29-50(43)57-55(47)53/h1-36,52H
InChIKeyFLYWMDVOLBQXBI-UHFFFAOYSA-N
XLogP11.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.06
LogP ≤ 511.69
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

diphenyl-(9-phenylcarbazol-1-yl)-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane
CID 140842619
(3-carbazol-9-ylphenyl)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007174
(3-carbazol-9-ylphenyl)-[6-[dibenzothiophen-4-yl(diphenyl)silyl]dibenzothiophen-4-yl]-diphenylsilane
CID 154007179
[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane
CID 158834822
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007181
dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane
CID 89397676
[4-[1-(1-dibenzothiophen-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166589134
3-dibenzothiophen-4-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;triphenyl-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 164968186
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[7-[dibenzothiophen-4-yl(diphenyl)silyl]triphenylen-2-yl]-diphenylsilane
CID 154007185
(3-carbazol-9-ylphenyl)-[7-[dibenzothiophen-4-yl(diphenyl)silyl]-9,9-dimethylfluoren-2-yl]-diphenylsilane
CID 154007176
4-[2-(2-methylphenyl)phenyl]dibenzothiophene;4-(3-methyl-2-phenylphenyl)dibenzothiophene;1-[2-(2-methylphenyl)phenyl]-9-phenylcarbazole;1-(3-methyl-2-phenylphenyl)-9-phenylcarbazole
CID 162176901
12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 118888288

Frequently Asked Questions

What is the IUPAC name of [4-(7H-fluoreno[4,3-b][1]benzothiol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane?
The IUPAC name of [4-(7H-fluoreno[4,3-b][1]benzothiol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane (CID 167382823) is [4-(7H-fluoreno[4,3-b][1]benzothiol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane.
What is the SMILES notation for [4-(7H-fluoreno[4,3-b][1]benzothiol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane?
The canonical SMILES for [4-(7H-fluoreno[4,3-b][1]benzothiol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane is c1ccc(-n2c3ccccc3c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc(C5c6ccccc6-c6c5ccc5c6sc6ccccc65)cc4)c32)cc1.
What is the InChIKey of [4-(7H-fluoreno[4,3-b][1]benzothiol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane?
The InChIKey is FLYWMDVOLBQXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37NSSi/c1-4-17-38(18-5-1)56-49-28-14-12-23-42(49)46-27-16-30-51(54(46)56)58(39-19-6-2-7-20-39,40-21-8-3-9-22-40)41-33-31-37(32-34-41)52-44-25-10-11-26-45(44)53-48(52)36-35-47-43-24-13-15-29-50(43)57-55(47)53/h1-36,52H.
What are the key properties of [4-(7H-fluoreno[4,3-b][1]benzothiol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane?
[4-(7H-fluoreno[4,3-b][1]benzothiol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane has a molecular weight of 772.06 g/mol, XLogP of 11.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7H-fluoreno[4,3-b][1]benzothiol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane is sourced from PubChem (CID 167382823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).