[9-(6H-benzimidazolo[2,1-c][1,4]benzothiazin-3-yl)carbazol-2-yl]-triphenylsilane

C44H31N3SSi — CID 164778248

IUPAC[9-(6H-benzimidazolo[2,1-c][1,4]benzothiazin-3-yl)carbazol-2-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c4ccccc4n(-c4ccc5c(c4)SCc4nc6ccccc6n4-5)c3c2)cc1
InChIInChI=1S/C44H31N3SSi/c1-4-14-32(15-5-1)49(33-16-6-2-7-17-33,34-18-8-3-9-19-34)35-25-26-37-36-20-10-12-22-39(36)46(42(37)29-35)31-24-27-41-43(28-31)48-30-44-45-38-21-11-13-23-40(38)47(41)44/h1-29H,30H2
InChIKeySFVKXZCUFRDPQU-UHFFFAOYSA-N
MW661.91 g/mol
LogP8.11
Rot. Bonds5

About [9-(6H-benzimidazolo[2,1-c][1,4]benzothiazin-3-yl)carbazol-2-yl]-triphenylsilane

[9-(6H-benzimidazolo[2,1-c][1,4]benzothiazin-3-yl)carbazol-2-yl]-triphenylsilane (PubChem CID 164778248) has the molecular formula C44H31N3SSi and a molecular weight of 661.91 g/mol. Its IUPAC name is [9-(6H-benzimidazolo[2,1-c][1,4]benzothiazin-3-yl)carbazol-2-yl]-triphenylsilane.

Molecular Properties

Compound Name[9-(6H-benzimidazolo[2,1-c][1,4]benzothiazin-3-yl)carbazol-2-yl]-triphenylsilane
PubChem CID164778248
Molecular FormulaC44H31N3SSi
Molecular Weight661.91 g/mol
Exact Mass661.20
IUPAC Name[9-(6H-benzimidazolo[2,1-c][1,4]benzothiazin-3-yl)carbazol-2-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c4ccccc4n(-c4ccc5c(c4)SCc4nc6ccccc6n4-5)c3c2)cc1
InChIInChI=1S/C44H31N3SSi/c1-4-14-32(15-5-1)49(33-16-6-2-7-17-33,34-18-8-3-9-19-34)35-25-26-37-36-20-10-12-22-39(36)46(42(37)29-35)31-24-27-41-43(28-31)48-30-44-45-38-21-11-13-23-40(38)47(41)44/h1-29H,30H2
InChIKeySFVKXZCUFRDPQU-UHFFFAOYSA-N
XLogP8.11
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.91
LogP ≤ 58.11
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'}

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Related Compounds

triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588700
diphenyl-(9-phenylcarbazol-2-yl)-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]silane
CID 140842640
[7-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-triphenylsilane
CID 170516315
(3-carbazol-9-ylphenyl)-triphenylsilane
CID 58926933
[2-(3-carbazol-9-ylcarbazol-9-yl)-5-triphenylsilylphenyl]-triphenylsilane
CID 177105259
[7-carbazol-9-yl-9-(9-phenylcarbazol-1-yl)carbazol-2-yl]-triphenylsilane
CID 170515020
[8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-triphenylsilane
CID 170516283
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 169077493
bis(4-carbazol-9-ylphenyl)-diphenylsilane
CID 139043550
[9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
CID 170516383
dibenzothiophen-2-yl-diphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170779721
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868

Frequently Asked Questions

What is the IUPAC name of [9-(6H-benzimidazolo[2,1-c][1,4]benzothiazin-3-yl)carbazol-2-yl]-triphenylsilane?
The IUPAC name of [9-(6H-benzimidazolo[2,1-c][1,4]benzothiazin-3-yl)carbazol-2-yl]-triphenylsilane (CID 164778248) is [9-(6H-benzimidazolo[2,1-c][1,4]benzothiazin-3-yl)carbazol-2-yl]-triphenylsilane.
What is the SMILES notation for [9-(6H-benzimidazolo[2,1-c][1,4]benzothiazin-3-yl)carbazol-2-yl]-triphenylsilane?
The canonical SMILES for [9-(6H-benzimidazolo[2,1-c][1,4]benzothiazin-3-yl)carbazol-2-yl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c4ccccc4n(-c4ccc5c(c4)SCc4nc6ccccc6n4-5)c3c2)cc1.
What is the InChIKey of [9-(6H-benzimidazolo[2,1-c][1,4]benzothiazin-3-yl)carbazol-2-yl]-triphenylsilane?
The InChIKey is SFVKXZCUFRDPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N3SSi/c1-4-14-32(15-5-1)49(33-16-6-2-7-17-33,34-18-8-3-9-19-34)35-25-26-37-36-20-10-12-22-39(36)46(42(37)29-35)31-24-27-41-43(28-31)48-30-44-45-38-21-11-13-23-40(38)47(41)44/h1-29H,30H2.
What are the key properties of [9-(6H-benzimidazolo[2,1-c][1,4]benzothiazin-3-yl)carbazol-2-yl]-triphenylsilane?
[9-(6H-benzimidazolo[2,1-c][1,4]benzothiazin-3-yl)carbazol-2-yl]-triphenylsilane has a molecular weight of 661.91 g/mol, XLogP of 8.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(6H-benzimidazolo[2,1-c][1,4]benzothiazin-3-yl)carbazol-2-yl]-triphenylsilane is sourced from PubChem (CID 164778248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).