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

C118H82N8O2SSi3 — CID 157209841

IUPAC2,4-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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc([Si]4(c5ccccc5)c5ccccc5Oc5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc([Si]4(c5ccccc5)c5ccccc5Sc5ccccc54)c3)n2)cc1.c1ccc([Si]2(c3cccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C40H28N2OSi.C39H27N3OSi.C39H27N3SSi/c1-2-14-35(15-3-1)44(39-19-6-4-17-37(39)43-38-18-5-7-20-40(38)44)36-16-8-11-29(26-36)32-23-33(30-12-9-21-41-27-30)25-34(24-32)31-13-10-22-42-28-31;1-4-14-28(15-5-1)37-40-38(29-16-6-2-7-17-29)42-39(41-37)30-24-26-32(27-25-30)44(31-18-8-3-9-19-31)35-22-12-10-20-33(35)43-34-21-11-13-23-36(34)44;1-4-15-28(16-5-1)37-40-38(29-17-6-2-7-18-29)42-39(41-37)30-19-14-22-32(27-30)44(31-20-8-3-9-21-31)35-25-12-10-23-33(35)43-34-24-11-13-26-36(34)44/h1-28H;2*1-27H
InChIKeyARTNTROZDCNJTA-UHFFFAOYSA-N
MW1760.33 g/mol
LogP20.03
Rot. Bonds15

About 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

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 (PubChem CID 157209841) has the molecular formula C118H82N8O2SSi3 and a molecular weight of 1760.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4-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
PubChem CID157209841
Molecular FormulaC118H82N8O2SSi3
Molecular Weight1760.33 g/mol
Exact Mass1758.56
IUPAC Name2,4-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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc([Si]4(c5ccccc5)c5ccccc5Oc5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc([Si]4(c5ccccc5)c5ccccc5Sc5ccccc54)c3)n2)cc1.c1ccc([Si]2(c3cccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C40H28N2OSi.C39H27N3OSi.C39H27N3SSi/c1-2-14-35(15-3-1)44(39-19-6-4-17-37(39)43-38-18-5-7-20-40(38)44)36-16-8-11-29(26-36)32-23-33(30-12-9-21-41-27-30)25-34(24-32)31-13-10-22-42-28-31;1-4-14-28(15-5-1)37-40-38(29-16-6-2-7-17-29)42-39(41-37)30-24-26-32(27-25-30)44(31-18-8-3-9-19-31)35-22-12-10-20-33(35)43-34-21-11-13-23-36(34)44;1-4-15-28(16-5-1)37-40-38(29-17-6-2-7-18-29)42-39(41-37)30-19-14-22-32(27-30)44(31-20-8-3-9-21-31)35-25-12-10-23-33(35)43-34-24-11-13-26-36(34)44/h1-28H;2*1-27H
InChIKeyARTNTROZDCNJTA-UHFFFAOYSA-N
XLogP20.03
TPSA121.58 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001760.33
LogP ≤ 520.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164757371
2,4-diphenyl-6-[3-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,3,5-triazine
CID 164793285
2-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]-4,6-dipyridin-3-yl-1,3,5-triazine
CID 153435459
2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine
CID 176643494
2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine
CID 118344700
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 146587202
2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
CID 153200165
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
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
2-phenyl-4-[3-(3-pyridin-3-ylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-1-yl-1,3,5-triazine
CID 139306539
2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(6-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380773
2,4-diphenyl-6-[3-[4-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine
CID 163812765

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc([Si]4(c5ccccc5)c5ccccc5Oc5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc([Si]4(c5ccccc5)c5ccccc5Sc5ccccc54)c3)n2)cc1.c1ccc([Si]2(c3cccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is ARTNTROZDCNJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2OSi.C39H27N3OSi.C39H27N3SSi/c1-2-14-35(15-3-1)44(39-19-6-4-17-37(39)43-38-18-5-7-20-40(38)44)36-16-8-11-29(26-36)32-23-33(30-12-9-21-41-27-30)25-34(24-32)31-13-10-22-42-28-31;1-4-14-28(15-5-1)37-40-38(29-16-6-2-7-17-29)42-39(41-37)30-24-26-32(27-25-30)44(31-18-8-3-9-19-31)35-22-12-10-20-33(35)43-34-21-11-13-23-36(34)44;1-4-15-28(16-5-1)37-40-38(29-17-6-2-7-18-29)42-39(41-37)30-19-14-22-32(27-30)44(31-20-8-3-9-21-31)35-25-12-10-23-33(35)43-34-24-11-13-26-36(34)44/h1-28H;2*1-27H.
What are the key properties of 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?
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 has a molecular weight of 1760.33 g/mol, XLogP of 20.03, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157209841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).