diphenyl-(5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazol-7-yl)-(3-pyridin-2-ylphenyl)silane

C46H31N3SSi — CID 140955484

IUPACdiphenyl-(5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazol-7-yl)-(3-pyridin-2-ylphenyl)silane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-c3ccccn3)c2)c2cc3c(c4ccccc4n3-c3ccccn3)c3sc4ccccc4c23)cc1
InChIInChI=1S/C46H31N3SSi/c1-3-17-33(18-4-1)51(34-19-5-2-6-20-34,35-21-15-16-32(30-35)38-24-11-13-28-47-38)42-31-40-44(46-45(42)37-23-8-10-26-41(37)50-46)36-22-7-9-25-39(36)49(40)43-27-12-14-29-48-43/h1-31H
InChIKeyJIHHRHGLGMQPMK-UHFFFAOYSA-N
MW685.93 g/mol
LogP8.99
Rot. Bonds6

About diphenyl-(5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazol-7-yl)-(3-pyridin-2-ylphenyl)silane

diphenyl-(5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazol-7-yl)-(3-pyridin-2-ylphenyl)silane (PubChem CID 140955484) has the molecular formula C46H31N3SSi and a molecular weight of 685.93 g/mol. Its IUPAC name is diphenyl-(5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazol-7-yl)-(3-pyridin-2-ylphenyl)silane.

Molecular Properties

Compound Namediphenyl-(5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazol-7-yl)-(3-pyridin-2-ylphenyl)silane
PubChem CID140955484
Molecular FormulaC46H31N3SSi
Molecular Weight685.93 g/mol
Exact Mass685.20
IUPAC Namediphenyl-(5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazol-7-yl)-(3-pyridin-2-ylphenyl)silane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-c3ccccn3)c2)c2cc3c(c4ccccc4n3-c3ccccn3)c3sc4ccccc4c23)cc1
InChIInChI=1S/C46H31N3SSi/c1-3-17-33(18-4-1)51(34-19-5-2-6-20-34,35-21-15-16-32(30-35)38-24-11-13-28-47-38)42-31-40-44(46-45(42)37-23-8-10-26-41(37)50-46)36-22-7-9-25-39(36)49(40)43-27-12-14-29-48-43/h1-31H
InChIKeyJIHHRHGLGMQPMK-UHFFFAOYSA-N
XLogP8.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.93
LogP ≤ 58.99
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'}

Analyze diphenyl-(5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazol-7-yl)-(3-pyridin-2-ylphenyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole
CID 140954133
(13,13-dimethyl-5-phenyl-8-pyridin-2-ylindolo[3,2-a]acridin-6-yl)-diphenyl-(3-pyridin-2-ylphenyl)silane
CID 140952474
diphenyl-(11-phenyl-12-pyridin-2-ylindolo[2,3-a]carbazol-2-yl)-(3-pyridin-2-ylphenyl)silane
CID 140951427
diphenyl-(3-pyridin-2-ylphenyl)-[3-(9-thia-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]silane
CID 140953211
dibenzothiophen-4-yl-diphenyl-[2-[5-(4-phenylphenyl)indolo[3,2-b]carbazol-11-yl]-4-pyridinyl]silane
CID 140924340
[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-dibenzothiophen-4-yl-diphenylsilane
CID 164757111
21-phenyl-9-pyridin-2-yl-18-thia-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635006
(21,21-dimethyl-10-pyridin-2-yl-14-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl)-diphenyl-(3-pyridin-2-ylphenyl)silane
CID 140954556
dibenzothiophen-4-yl-diphenyl-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]phenyl]silane
CID 89397676
(13,13-diphenyl-8-pyridin-2-yl-[1,4]benzothiasilino[3,2-g]carbazol-10-yl)-diphenyl-(3-pyridin-2-ylphenyl)silane
CID 140954516
9-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)carbazol-2-amine
CID 134212706
[3-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane
CID 123944245

Frequently Asked Questions

What is the IUPAC name of diphenyl-(5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazol-7-yl)-(3-pyridin-2-ylphenyl)silane?
The IUPAC name of diphenyl-(5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazol-7-yl)-(3-pyridin-2-ylphenyl)silane (CID 140955484) is diphenyl-(5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazol-7-yl)-(3-pyridin-2-ylphenyl)silane.
What is the SMILES notation for diphenyl-(5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazol-7-yl)-(3-pyridin-2-ylphenyl)silane?
The canonical SMILES for diphenyl-(5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazol-7-yl)-(3-pyridin-2-ylphenyl)silane is c1ccc([Si](c2ccccc2)(c2cccc(-c3ccccn3)c2)c2cc3c(c4ccccc4n3-c3ccccn3)c3sc4ccccc4c23)cc1.
What is the InChIKey of diphenyl-(5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazol-7-yl)-(3-pyridin-2-ylphenyl)silane?
The InChIKey is JIHHRHGLGMQPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3SSi/c1-3-17-33(18-4-1)51(34-19-5-2-6-20-34,35-21-15-16-32(30-35)38-24-11-13-28-47-38)42-31-40-44(46-45(42)37-23-8-10-26-41(37)50-46)36-22-7-9-25-39(36)49(40)43-27-12-14-29-48-43/h1-31H.
What are the key properties of diphenyl-(5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazol-7-yl)-(3-pyridin-2-ylphenyl)silane?
diphenyl-(5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazol-7-yl)-(3-pyridin-2-ylphenyl)silane has a molecular weight of 685.93 g/mol, XLogP of 8.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazol-7-yl)-(3-pyridin-2-ylphenyl)silane is sourced from PubChem (CID 140955484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).