dibenzothiophen-2-yl-[3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenylsilane

C55H38N2SSi — CID 174109178

IUPACdibenzothiophen-2-yl-[3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenylsilane
SMILESCc1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc([Si](c2ccccc2)(c2ccccc2)c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C55H38N2SSi/c1-37-33-39(56-50-27-15-12-25-47(50)54-51(56)31-30-46-44-23-11-14-26-49(44)57(55(46)54)38-17-5-2-6-18-38)35-43(34-37)59(40-19-7-3-8-20-40,41-21-9-4-10-22-41)42-29-32-53-48(36-42)45-24-13-16-28-52(45)58-53/h2-36H,1H3
InChIKeyREUQKEXFLOHJEQ-UHFFFAOYSA-N
MW787.08 g/mol
LogP11.93
Rot. Bonds6

About dibenzothiophen-2-yl-[3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenylsilane

dibenzothiophen-2-yl-[3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenylsilane (PubChem CID 174109178) has the molecular formula C55H38N2SSi and a molecular weight of 787.08 g/mol. Its IUPAC name is dibenzothiophen-2-yl-[3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenylsilane.

Molecular Properties

Compound Namedibenzothiophen-2-yl-[3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenylsilane
PubChem CID174109178
Molecular FormulaC55H38N2SSi
Molecular Weight787.08 g/mol
Exact Mass786.25
IUPAC Namedibenzothiophen-2-yl-[3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenylsilane
SMILESCc1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc([Si](c2ccccc2)(c2ccccc2)c2ccc3sc4ccccc4c3c2)c1
InChIInChI=1S/C55H38N2SSi/c1-37-33-39(56-50-27-15-12-25-47(50)54-51(56)31-30-46-44-23-11-14-26-49(44)57(55(46)54)38-17-5-2-6-18-38)35-43(34-37)59(40-19-7-3-8-20-40,41-21-9-4-10-22-41)42-29-32-53-48(36-42)45-24-13-16-28-52(45)58-53/h2-36H,1H3
InChIKeyREUQKEXFLOHJEQ-UHFFFAOYSA-N
XLogP11.93
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.08
LogP ≤ 511.93
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-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 174109179
dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170779721
[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842470
5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole
CID 170394006
bis(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-diphenylsilane
CID 58489663
triphenyl-[3-[3-[3-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588745
5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 118504656
12-dibenzothiophen-2-yl-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598840
[3-[2-(3-dibenzothiophen-2-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588164
5-dibenzothiophen-2-yl-12-dibenzothiophen-3-ylindolo[3,2-c]carbazole
CID 170393793
(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 158052706
diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]silane
CID 167382317

Frequently Asked Questions

What is the IUPAC name of dibenzothiophen-2-yl-[3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenylsilane?
The IUPAC name of dibenzothiophen-2-yl-[3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenylsilane (CID 174109178) is dibenzothiophen-2-yl-[3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenylsilane.
What is the SMILES notation for dibenzothiophen-2-yl-[3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenylsilane?
The canonical SMILES for dibenzothiophen-2-yl-[3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenylsilane is Cc1cc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc([Si](c2ccccc2)(c2ccccc2)c2ccc3sc4ccccc4c3c2)c1.
What is the InChIKey of dibenzothiophen-2-yl-[3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenylsilane?
The InChIKey is REUQKEXFLOHJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2SSi/c1-37-33-39(56-50-27-15-12-25-47(50)54-51(56)31-30-46-44-23-11-14-26-49(44)57(55(46)54)38-17-5-2-6-18-38)35-43(34-37)59(40-19-7-3-8-20-40,41-21-9-4-10-22-41)42-29-32-53-48(36-42)45-24-13-16-28-52(45)58-53/h2-36H,1H3.
What are the key properties of dibenzothiophen-2-yl-[3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenylsilane?
dibenzothiophen-2-yl-[3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenylsilane has a molecular weight of 787.08 g/mol, XLogP of 11.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophen-2-yl-[3-methyl-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenylsilane is sourced from PubChem (CID 174109178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).