diphenyl-(3-pyrazol-1-ylphenyl)-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane

C44H30N4SSi — CID 140952480

IUPACdiphenyl-(3-pyrazol-1-ylphenyl)-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-n3cccn3)c2)c2ccc3c4ccc5sc6ccccc6c5c4n(-c4ccccn4)c3c2)cc1
InChIInChI=1S/C44H30N4SSi/c1-3-14-32(15-4-1)50(33-16-5-2-6-17-33,34-18-11-13-31(29-34)47-28-12-27-46-47)35-22-23-36-37-24-25-41-43(38-19-7-8-20-40(38)49-41)44(37)48(39(36)30-35)42-21-9-10-26-45-42/h1-30H
InChIKeyUNVRVPMLBSJKTH-UHFFFAOYSA-N
MW674.91 g/mol
LogP8.11
Rot. Bonds6

About diphenyl-(3-pyrazol-1-ylphenyl)-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane

diphenyl-(3-pyrazol-1-ylphenyl)-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane (PubChem CID 140952480) has the molecular formula C44H30N4SSi and a molecular weight of 674.91 g/mol. Its IUPAC name is diphenyl-(3-pyrazol-1-ylphenyl)-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane.

Molecular Properties

Compound Namediphenyl-(3-pyrazol-1-ylphenyl)-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane
PubChem CID140952480
Molecular FormulaC44H30N4SSi
Molecular Weight674.91 g/mol
Exact Mass674.20
IUPAC Namediphenyl-(3-pyrazol-1-ylphenyl)-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-n3cccn3)c2)c2ccc3c4ccc5sc6ccccc6c5c4n(-c4ccccn4)c3c2)cc1
InChIInChI=1S/C44H30N4SSi/c1-3-14-32(15-4-1)50(33-16-5-2-6-17-33,34-18-11-13-31(29-34)47-28-12-27-46-47)35-22-23-36-37-24-25-41-43(38-19-7-8-20-40(38)49-41)44(37)48(39(36)30-35)42-21-9-10-26-45-42/h1-30H
InChIKeyUNVRVPMLBSJKTH-UHFFFAOYSA-N
XLogP8.11
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.91
LogP ≤ 58.11
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

[3-(3-methyl-2H-imidazol-1-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane
CID 140952785
[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
imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazol-2-yl)silane
CID 140954071
diphenyl-(11-phenyl-12-pyridin-2-ylindolo[2,3-a]carbazol-2-yl)-(3-pyridin-2-ylphenyl)silane
CID 140951427
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-[3-(4-tert-butyl-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole
CID 176782806
imidazo[1,2-f]phenanthridin-11-yl-diphenyl-[3-(14-thia-7,9-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]silane
CID 140955944
[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
10-[3-(1-methylimidazol-2-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole
CID 140954347

Frequently Asked Questions

What is the IUPAC name of diphenyl-(3-pyrazol-1-ylphenyl)-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane?
The IUPAC name of diphenyl-(3-pyrazol-1-ylphenyl)-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane (CID 140952480) is diphenyl-(3-pyrazol-1-ylphenyl)-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane.
What is the SMILES notation for diphenyl-(3-pyrazol-1-ylphenyl)-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane?
The canonical SMILES for diphenyl-(3-pyrazol-1-ylphenyl)-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane is c1ccc([Si](c2ccccc2)(c2cccc(-n3cccn3)c2)c2ccc3c4ccc5sc6ccccc6c5c4n(-c4ccccn4)c3c2)cc1.
What is the InChIKey of diphenyl-(3-pyrazol-1-ylphenyl)-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane?
The InChIKey is UNVRVPMLBSJKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4SSi/c1-3-14-32(15-4-1)50(33-16-5-2-6-17-33,34-18-11-13-31(29-34)47-28-12-27-46-47)35-22-23-36-37-24-25-41-43(38-19-7-8-20-40(38)49-41)44(37)48(39(36)30-35)42-21-9-10-26-45-42/h1-30H.
What are the key properties of diphenyl-(3-pyrazol-1-ylphenyl)-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane?
diphenyl-(3-pyrazol-1-ylphenyl)-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane has a molecular weight of 674.91 g/mol, XLogP of 8.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(3-pyrazol-1-ylphenyl)-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane is sourced from PubChem (CID 140952480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).