2-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C130H90N8S3Si3 — CID 158274079

IUPAC2-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4Sc4ccccc4[Si]5(c4ccccc4)c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4Sc4ccccc4[Si]5(c4ccccc4)c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3Sc3ccccc3[Si]4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C46H32N2SSi.C45H31N3SSi.C39H27N3SSi/c1-5-17-33(18-6-1)40-32-41(34-19-7-2-8-20-34)48-46(47-40)36-22-15-21-35(31-36)39-27-16-30-44-45(39)49-42-28-13-14-29-43(42)50(44,37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-5-17-32(18-6-1)43-46-44(33-19-7-2-8-20-33)48-45(47-43)35-22-15-21-34(31-35)38-27-16-30-41-42(38)49-39-28-13-14-29-40(39)50(41,36-23-9-3-10-24-36)37-25-11-4-12-26-37;1-5-16-28(17-6-1)37-40-38(29-18-7-2-8-19-29)42-39(41-37)32-24-15-27-35-36(32)43-33-25-13-14-26-34(33)44(35,30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-32H;1-31H;1-27H
InChIKeyGJJWBRDNIXZLLX-UHFFFAOYSA-N
MW1944.67 g/mol
LogP24.08
Rot. Bonds17

About 2-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 158274079) has the molecular formula C130H90N8S3Si3 and a molecular weight of 1944.67 g/mol. Its IUPAC name is 2-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID158274079
Molecular FormulaC130H90N8S3Si3
Molecular Weight1944.67 g/mol
Exact Mass1942.58
IUPAC Name2-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4Sc4ccccc4[Si]5(c4ccccc4)c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4Sc4ccccc4[Si]5(c4ccccc4)c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3Sc3ccccc3[Si]4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C46H32N2SSi.C45H31N3SSi.C39H27N3SSi/c1-5-17-33(18-6-1)40-32-41(34-19-7-2-8-20-34)48-46(47-40)36-22-15-21-35(31-36)39-27-16-30-44-45(39)49-42-28-13-14-29-43(42)50(44,37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-5-17-32(18-6-1)43-46-44(33-19-7-2-8-20-33)48-45(47-43)35-22-15-21-34(31-35)38-27-16-30-41-42(38)49-39-28-13-14-29-40(39)50(41,36-23-9-3-10-24-36)37-25-11-4-12-26-37;1-5-16-28(17-6-1)37-40-38(29-18-7-2-8-19-29)42-39(41-37)32-24-15-27-35-36(32)43-33-25-13-14-26-34(33)44(35,30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-32H;1-31H;1-27H
InChIKeyGJJWBRDNIXZLLX-UHFFFAOYSA-N
XLogP24.08
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001944.67
LogP ≤ 524.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[3-[3-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 155787059
2-[3-[3-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 155787163
2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine
CID 176643494
2-(9,9-dimethylthioxanthen-4-yl)-4-phenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-1,3,5-triazine
CID 174266172
2-[3-[3-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787247
2-[3-[2-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 167216324
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
2-[3-(2,6-diphenylpyrimidin-4-yl)-4-thianthren-1-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 174259355
2,4-diphenyl-6-[3-[3-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154613809
4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)pyrimidine
CID 167178243
2-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 155787067
2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155787215

Frequently Asked Questions

What is the IUPAC name of 2-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 158274079) is 2-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4Sc4ccccc4[Si]5(c4ccccc4)c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4Sc4ccccc4[Si]5(c4ccccc4)c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3Sc3ccccc3[Si]4(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 2-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is GJJWBRDNIXZLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2SSi.C45H31N3SSi.C39H27N3SSi/c1-5-17-33(18-6-1)40-32-41(34-19-7-2-8-20-34)48-46(47-40)36-22-15-21-35(31-36)39-27-16-30-44-45(39)49-42-28-13-14-29-43(42)50(44,37-23-9-3-10-24-37)38-25-11-4-12-26-38;1-5-17-32(18-6-1)43-46-44(33-19-7-2-8-20-33)48-45(47-43)35-22-15-21-34(31-35)38-27-16-30-41-42(38)49-39-28-13-14-29-40(39)50(41,36-23-9-3-10-24-36)37-25-11-4-12-26-37;1-5-16-28(17-6-1)37-40-38(29-18-7-2-8-19-29)42-39(41-37)32-24-15-27-35-36(32)43-33-25-13-14-26-34(33)44(35,30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-32H;1-31H;1-27H.
What are the key properties of 2-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1944.67 g/mol, XLogP of 24.08, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)-4,6-diphenyl-1,3,5-triazine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenylpyrimidine;2-[3-(10,10-diphenylbenzo[b][1,4]benzothiasilin-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 158274079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).