dibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane

C42H29NSSi — CID 170779772

IUPACdibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane
SMILESc1ccc(-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4cccc5sc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C42H29NSSi/c1-4-15-30(16-5-1)43-37-23-12-10-21-34(37)36-29-33(27-28-38(36)43)45(31-17-6-2-7-18-31,32-19-8-3-9-20-32)41-26-14-25-40-42(41)35-22-11-13-24-39(35)44-40/h1-29H
InChIKeyPQDGRIRGWPSSBM-UHFFFAOYSA-N
MW607.85 g/mol
LogP8.53
Rot. Bonds5

About dibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane

dibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane (PubChem CID 170779772) has the molecular formula C42H29NSSi and a molecular weight of 607.85 g/mol. Its IUPAC name is dibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane.

Molecular Properties

Compound Namedibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane
PubChem CID170779772
Molecular FormulaC42H29NSSi
Molecular Weight607.85 g/mol
Exact Mass607.18
IUPAC Namedibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane
SMILESc1ccc(-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4cccc5sc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C42H29NSSi/c1-4-15-30(16-5-1)43-37-23-12-10-21-34(37)36-29-33(27-28-38(36)43)45(31-17-6-2-7-18-31,32-19-8-3-9-20-32)41-26-14-25-40-42(41)35-22-11-13-24-39(35)44-40/h1-29H
InChIKeyPQDGRIRGWPSSBM-UHFFFAOYSA-N
XLogP8.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.85
LogP ≤ 58.53
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

dibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-2-yl)silane
CID 170779705
[7-carbazol-9-yl-8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-1-yl]-triphenylsilane
CID 171416899
[9-(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane
CID 164756561
[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842470
dibenzofuran-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 170779740
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
dibenzothiophen-1-yl-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-diphenylsilane
CID 170779783
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007181
dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170779721
dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane
CID 89397676
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
(3-carbazol-9-ylphenyl)-[4-[dibenzothiophen-4-yl(diphenyl)silyl]phenyl]-diphenylsilane
CID 154007174

Frequently Asked Questions

What is the IUPAC name of dibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane?
The IUPAC name of dibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane (CID 170779772) is dibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane.
What is the SMILES notation for dibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane?
The canonical SMILES for dibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane is c1ccc(-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4cccc5sc6ccccc6c45)ccc32)cc1.
What is the InChIKey of dibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane?
The InChIKey is PQDGRIRGWPSSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NSSi/c1-4-15-30(16-5-1)43-37-23-12-10-21-34(37)36-29-33(27-28-38(36)43)45(31-17-6-2-7-18-31,32-19-8-3-9-20-32)41-26-14-25-40-42(41)35-22-11-13-24-39(35)44-40/h1-29H.
What are the key properties of dibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane?
dibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane has a molecular weight of 607.85 g/mol, XLogP of 8.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-3-yl)silane is sourced from PubChem (CID 170779772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).