[3-(3-methyl-2H-imidazol-1-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane

C45H34N4SSi — CID 140952785

IUPAC[3-(3-methyl-2H-imidazol-1-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane
SMILESCN1C=CN(c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c5ccc6sc7ccccc7c6c5n(-c5ccccn5)c4c3)c2)C1
InChIInChI=1S/C45H34N4SSi/c1-47-27-28-48(31-47)32-13-12-18-35(29-32)51(33-14-4-2-5-15-33,34-16-6-3-7-17-34)36-22-23-37-38-24-25-42-44(39-19-8-9-20-41(39)50-42)45(38)49(40(37)30-36)43-21-10-11-26-46-43/h2-30H,31H2,1H3
InChIKeySAYMAZMCTBMGBM-UHFFFAOYSA-N
MW690.95 g/mol
LogP8.10
Rot. Bonds6

About [3-(3-methyl-2H-imidazol-1-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane

[3-(3-methyl-2H-imidazol-1-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane (PubChem CID 140952785) has the molecular formula C45H34N4SSi and a molecular weight of 690.95 g/mol. Its IUPAC name is [3-(3-methyl-2H-imidazol-1-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane.

Molecular Properties

Compound Name[3-(3-methyl-2H-imidazol-1-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane
PubChem CID140952785
Molecular FormulaC45H34N4SSi
Molecular Weight690.95 g/mol
Exact Mass690.23
IUPAC Name[3-(3-methyl-2H-imidazol-1-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane
SMILESCN1C=CN(c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c5ccc6sc7ccccc7c6c5n(-c5ccccn5)c4c3)c2)C1
InChIInChI=1S/C45H34N4SSi/c1-47-27-28-48(31-47)32-13-12-18-35(29-32)51(33-14-4-2-5-15-33,34-16-6-3-7-17-34)36-22-23-37-38-24-25-42-44(39-19-8-9-20-41(39)50-42)45(38)49(40(37)30-36)43-21-10-11-26-46-43/h2-30H,31H2,1H3
InChIKeySAYMAZMCTBMGBM-UHFFFAOYSA-N
XLogP8.10
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.95
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3-pyrazol-1-ylphenyl)-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane
CID 140952480
[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane
CID 140953469
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
12-(4-tert-butyl-2-pyridinyl)-10-[3-[3-(2,4-ditert-butyl-6-methylphenyl)-2H-imidazol-1-yl]phenoxy]-[1]benzothiolo[3,2-a]carbazole
CID 176782184
diphenyl-(11-phenyl-12-pyridin-2-ylindolo[2,3-a]carbazol-2-yl)-(3-pyridin-2-ylphenyl)silane
CID 140951427
imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazol-2-yl)silane
CID 140954071
dibenzothiophen-1-yl-diphenyl-(9-phenylcarbazol-2-yl)silane
CID 170779705
10-phenanthro[10,9-b]pyridin-11-ylsulfanyl-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole
CID 140955154
10-[3-(1-methylimidazol-2-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole
CID 140954347
[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3,5-dinaphthalen-1-ylphenyl]-triphenylsilane
CID 176724317
[3-(3,5-dimethylpyrazol-1-yl)phenyl]-diphenyl-(9-pyridin-2-ylcarbazol-2-yl)silane
CID 155636088
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

Frequently Asked Questions

What is the IUPAC name of [3-(3-methyl-2H-imidazol-1-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane?
The IUPAC name of [3-(3-methyl-2H-imidazol-1-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane (CID 140952785) is [3-(3-methyl-2H-imidazol-1-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane.
What is the SMILES notation for [3-(3-methyl-2H-imidazol-1-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane?
The canonical SMILES for [3-(3-methyl-2H-imidazol-1-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane is CN1C=CN(c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c5ccc6sc7ccccc7c6c5n(-c5ccccn5)c4c3)c2)C1.
What is the InChIKey of [3-(3-methyl-2H-imidazol-1-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane?
The InChIKey is SAYMAZMCTBMGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N4SSi/c1-47-27-28-48(31-47)32-13-12-18-35(29-32)51(33-14-4-2-5-15-33,34-16-6-3-7-17-34)36-22-23-37-38-24-25-42-44(39-19-8-9-20-41(39)50-42)45(38)49(40(37)30-36)43-21-10-11-26-46-43/h2-30H,31H2,1H3.
What are the key properties of [3-(3-methyl-2H-imidazol-1-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane?
[3-(3-methyl-2H-imidazol-1-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane has a molecular weight of 690.95 g/mol, XLogP of 8.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methyl-2H-imidazol-1-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane is sourced from PubChem (CID 140952785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).