10-phenyl-10-triphenylen-2-ylbenzo[b][1,4]benzothiasiline

C36H24SSi — CID 140831625

IUPAC10-phenyl-10-triphenylen-2-ylbenzo[b][1,4]benzothiasiline
SMILESc1ccc([Si]2(c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C36H24SSi/c1-2-12-25(13-3-1)38(35-20-10-8-18-33(35)37-34-19-9-11-21-36(34)38)26-22-23-31-29-16-5-4-14-27(29)28-15-6-7-17-30(28)32(31)24-26/h1-24H
InChIKeyQSKFCUTZKARQCQ-UHFFFAOYSA-N
MW516.74 g/mol
LogP6.99
Rot. Bonds2

About 10-phenyl-10-triphenylen-2-ylbenzo[b][1,4]benzothiasiline

10-phenyl-10-triphenylen-2-ylbenzo[b][1,4]benzothiasiline (PubChem CID 140831625) has the molecular formula C36H24SSi and a molecular weight of 516.74 g/mol. Its IUPAC name is 10-phenyl-10-triphenylen-2-ylbenzo[b][1,4]benzothiasiline.

Molecular Properties

Compound Name10-phenyl-10-triphenylen-2-ylbenzo[b][1,4]benzothiasiline
PubChem CID140831625
Molecular FormulaC36H24SSi
Molecular Weight516.74 g/mol
Exact Mass516.14
IUPAC Name10-phenyl-10-triphenylen-2-ylbenzo[b][1,4]benzothiasiline
SMILESc1ccc([Si]2(c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C36H24SSi/c1-2-12-25(13-3-1)38(35-20-10-8-18-33(35)37-34-19-9-11-21-36(34)38)26-22-23-31-29-16-5-4-14-27(29)28-15-6-7-17-30(28)32(31)24-26/h1-24H
InChIKeyQSKFCUTZKARQCQ-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.74
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole
CID 164757340
9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)carbazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazole;2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)-9H-carbazole
CID 165110418
N-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-N-phenyldibenzofuran-3-amine
CID 149201955
10-(3-bromophenyl)-10-(2-phenylphenyl)benzo[b][1,4]benzothiasiline
CID 177291230
9-[3-(1-phenyl-8,14-dithia-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazole
CID 153300232
9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole
CID 164757364
9-[3-[10-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-ylbenzo[b][1,4]benzothiasilin-3-yl]phenyl]carbazole
CID 177291128
7-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-diphenyl-10-pyridin-2-yl-14-thia-10-aza-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 140953996
3,6-dimethyl-9-(1-phenyl-8,14-dithia-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)carbazole
CID 153300261
[3-(14,14-diphenyl-21-thia-3,5-diaza-14-silapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaen-3-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
CID 140955578
2-[4-(7-phenyltriphenylen-2-yl)phenyl]thianthrene
CID 88923210
2,4-diphenyl-6-[3-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]-1,3,5-triazine;3-[3-[3-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 157209841

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-10-triphenylen-2-ylbenzo[b][1,4]benzothiasiline?
The IUPAC name of 10-phenyl-10-triphenylen-2-ylbenzo[b][1,4]benzothiasiline (CID 140831625) is 10-phenyl-10-triphenylen-2-ylbenzo[b][1,4]benzothiasiline.
What is the SMILES notation for 10-phenyl-10-triphenylen-2-ylbenzo[b][1,4]benzothiasiline?
The canonical SMILES for 10-phenyl-10-triphenylen-2-ylbenzo[b][1,4]benzothiasiline is c1ccc([Si]2(c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of 10-phenyl-10-triphenylen-2-ylbenzo[b][1,4]benzothiasiline?
The InChIKey is QSKFCUTZKARQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24SSi/c1-2-12-25(13-3-1)38(35-20-10-8-18-33(35)37-34-19-9-11-21-36(34)38)26-22-23-31-29-16-5-4-14-27(29)28-15-6-7-17-30(28)32(31)24-26/h1-24H.
What are the key properties of 10-phenyl-10-triphenylen-2-ylbenzo[b][1,4]benzothiasiline?
10-phenyl-10-triphenylen-2-ylbenzo[b][1,4]benzothiasiline has a molecular weight of 516.74 g/mol, XLogP of 6.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-10-triphenylen-2-ylbenzo[b][1,4]benzothiasiline is sourced from PubChem (CID 140831625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).