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

C46H31N3SSi — CID 140953211

IUPACdiphenyl-(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
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-c3ccccn3)c2)c2cccc(-n3c4ncccc4c4ccc5sc6ccccc6c5c43)c2)cc1
InChIInChI=1S/C46H31N3SSi/c1-3-16-34(17-4-1)51(35-18-5-2-6-19-35,36-20-11-14-32(30-36)41-24-9-10-28-47-41)37-21-12-15-33(31-37)49-45-38(39-23-13-29-48-46(39)49)26-27-43-44(45)40-22-7-8-25-42(40)50-43/h1-31H
InChIKeyBWRLGWPOSCGQAS-UHFFFAOYSA-N
MW685.93 g/mol
LogP8.99
Rot. Bonds6

About 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

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 (PubChem CID 140953211) has the molecular formula C46H31N3SSi and a molecular weight of 685.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namediphenyl-(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
PubChem CID140953211
Molecular FormulaC46H31N3SSi
Molecular Weight685.93 g/mol
Exact Mass685.20
IUPAC Namediphenyl-(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
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-c3ccccn3)c2)c2cccc(-n3c4ncccc4c4ccc5sc6ccccc6c5c43)c2)cc1
InChIInChI=1S/C46H31N3SSi/c1-3-16-34(17-4-1)51(35-18-5-2-6-19-35,36-20-11-14-32(30-36)41-24-9-10-28-47-41)37-21-12-15-33(31-37)49-45-38(39-23-13-29-48-46(39)49)26-27-43-44(45)40-22-7-8-25-42(40)50-43/h1-31H
InChIKeyBWRLGWPOSCGQAS-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-(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 with MolForge

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Related Compounds

[3-(1-methylbenzimidazol-2-yl)phenyl]-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 140952185
diphenyl-(3-pyrazol-1-ylphenyl)-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane
CID 140952480
[3-(14,14-dimethyl-3-thia-19,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,15(20),16,18-nonaen-21-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane
CID 140951658
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
[3-(3-methyl-2H-imidazol-1-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane
CID 140952785
diphenyl-(3-phenylphenyl)-[3-[6-pyrido[2,3-b]indol-9-yl-2-[5-(3-triphenylsilylphenyl)indolo[3,2-c]carbazol-12-yl]pyrimidin-4-yl]phenyl]silane
CID 168842660
[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane
CID 140953469
diphenyl-(11-phenyl-12-pyridin-2-ylindolo[2,3-a]carbazol-2-yl)-(3-pyridin-2-ylphenyl)silane
CID 140951427
[3-(21,21-dimethyl-14-oxa-7,9-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane
CID 140952781
12-[3-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167192716
12-[3-[2,6-bis[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 126630823
diphenyl-(5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazol-7-yl)-(3-pyridin-2-ylphenyl)silane
CID 140955484

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc([Si](c2ccccc2)(c2cccc(-c3ccccn3)c2)c2cccc(-n3c4ncccc4c4ccc5sc6ccccc6c5c43)c2)cc1.
What is the InChIKey of 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?
The InChIKey is BWRLGWPOSCGQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3SSi/c1-3-16-34(17-4-1)51(35-18-5-2-6-19-35,36-20-11-14-32(30-36)41-24-9-10-28-47-41)37-21-12-15-33(31-37)49-45-38(39-23-13-29-48-46(39)49)26-27-43-44(45)40-22-7-8-25-42(40)50-43/h1-31H.
What are the key properties of 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?
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 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-(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 is sourced from PubChem (CID 140953211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).