[3-(5H-benzimidazolo[1,2-a][3,1]benzothiazin-2-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane

C50H36N2SSi — CID 164778524

IUPAC[3-(5H-benzimidazolo[1,2-a][3,1]benzothiazin-2-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane
SMILESc1ccc(-c2cccc([Si](c3ccccc3)(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccc5c(c4)-n4c(nc6ccccc64)SC5)c3)c2)cc1
InChIInChI=1S/C50H36N2SSi/c1-4-15-36(16-5-1)38-19-12-24-44(31-38)54(43-22-8-3-9-23-43,45-25-13-20-39(32-45)37-17-6-2-7-18-37)46-26-14-21-40(33-46)41-29-30-42-35-53-50-51-47-27-10-11-28-48(47)52(50)49(42)34-41/h1-34H,35H2
InChIKeyABQQKWMSEXVPAA-UHFFFAOYSA-N
MW725.01 g/mol
LogP10.01
Rot. Bonds7

About [3-(5H-benzimidazolo[1,2-a][3,1]benzothiazin-2-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane

[3-(5H-benzimidazolo[1,2-a][3,1]benzothiazin-2-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane (PubChem CID 164778524) has the molecular formula C50H36N2SSi and a molecular weight of 725.01 g/mol. Its IUPAC name is [3-(5H-benzimidazolo[1,2-a][3,1]benzothiazin-2-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane.

Molecular Properties

Compound Name[3-(5H-benzimidazolo[1,2-a][3,1]benzothiazin-2-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane
PubChem CID164778524
Molecular FormulaC50H36N2SSi
Molecular Weight725.01 g/mol
Exact Mass724.24
IUPAC Name[3-(5H-benzimidazolo[1,2-a][3,1]benzothiazin-2-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane
SMILESc1ccc(-c2cccc([Si](c3ccccc3)(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccc5c(c4)-n4c(nc6ccccc64)SC5)c3)c2)cc1
InChIInChI=1S/C50H36N2SSi/c1-4-15-36(16-5-1)38-19-12-24-44(31-38)54(43-22-8-3-9-23-43,45-25-13-20-39(32-45)37-17-6-2-7-18-37)46-26-14-21-40(33-46)41-29-30-42-35-53-50-51-47-27-10-11-28-48(47)52(50)49(42)34-41/h1-34H,35H2
InChIKeyABQQKWMSEXVPAA-UHFFFAOYSA-N
XLogP10.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.01
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(5H-benzimidazolo[1,2-a][3,1]benzothiazin-10-yl)phenyl]-(3-dibenzothiophen-1-ylphenyl)-diphenylsilane
CID 164778065
[3-(5H-benzimidazolo[1,2-a][3,1]benzothiazin-10-yl)phenyl]-triphenyl-λ4-sulfane
CID 167077515
triphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane
CID 168780527
[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)phenyl]-(3,5-diphenylphenyl)-diphenylsilane;[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)phenyl]-diphenyl-(3-phenylphenyl)silane;[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)-5-phenylphenyl]-diphenyl-(3-phenylphenyl)silane;[3-(5H-benzimidazolo[1,2-a][3,1]benzoxazin-10-yl)phenyl]-triphenylsilane
CID 165041569
1-(4-phenylquinazolin-2-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine
CID 164764844
bis[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane
CID 153462934
[3-(benzimidazolo[2,1-b][1,3]benzoxazol-2-yl)phenyl]-triphenylsilane
CID 153462915
[3-(2-carbazol-9-yl-6-dibenzothiophen-2-ylpyrimidin-4-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 168836287
[3-[4,6-bis(3-phenylcarbazol-9-yl)-2-pyridinyl]phenyl]-triphenylsilane
CID 168780371
[3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 166016230
[3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane
CID 176785025
triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane
CID 166589020

Frequently Asked Questions

What is the IUPAC name of [3-(5H-benzimidazolo[1,2-a][3,1]benzothiazin-2-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane?
The IUPAC name of [3-(5H-benzimidazolo[1,2-a][3,1]benzothiazin-2-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane (CID 164778524) is [3-(5H-benzimidazolo[1,2-a][3,1]benzothiazin-2-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane.
What is the SMILES notation for [3-(5H-benzimidazolo[1,2-a][3,1]benzothiazin-2-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane?
The canonical SMILES for [3-(5H-benzimidazolo[1,2-a][3,1]benzothiazin-2-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane is c1ccc(-c2cccc([Si](c3ccccc3)(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccc5c(c4)-n4c(nc6ccccc64)SC5)c3)c2)cc1.
What is the InChIKey of [3-(5H-benzimidazolo[1,2-a][3,1]benzothiazin-2-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane?
The InChIKey is ABQQKWMSEXVPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2SSi/c1-4-15-36(16-5-1)38-19-12-24-44(31-38)54(43-22-8-3-9-23-43,45-25-13-20-39(32-45)37-17-6-2-7-18-37)46-26-14-21-40(33-46)41-29-30-42-35-53-50-51-47-27-10-11-28-48(47)52(50)49(42)34-41/h1-34H,35H2.
What are the key properties of [3-(5H-benzimidazolo[1,2-a][3,1]benzothiazin-2-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane?
[3-(5H-benzimidazolo[1,2-a][3,1]benzothiazin-2-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane has a molecular weight of 725.01 g/mol, XLogP of 10.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5H-benzimidazolo[1,2-a][3,1]benzothiazin-2-yl)phenyl]-phenyl-bis(3-phenylphenyl)silane is sourced from PubChem (CID 164778524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).