2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]dibenzothiophene 5,5-dioxide

C38H24N4O2S — CID 163613885

IUPAC2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cn3)ccc21
InChIInChI=1S/C38H24N4O2S/c43-45(44)34-14-8-7-13-31(34)32-23-29(20-22-35(32)45)33-21-19-30(24-39-33)38-41-36(27-11-5-2-6-12-27)40-37(42-38)28-17-15-26(16-18-28)25-9-3-1-4-10-25/h1-24H
InChIKeyHIHVNYNQAKOTDK-UHFFFAOYSA-N
MW600.70 g/mol
LogP8.41
Rot. Bonds5

About 2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]dibenzothiophene 5,5-dioxide

2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]dibenzothiophene 5,5-dioxide (PubChem CID 163613885) has the molecular formula C38H24N4O2S and a molecular weight of 600.70 g/mol. Its IUPAC name is 2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]dibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]dibenzothiophene 5,5-dioxide
PubChem CID163613885
Molecular FormulaC38H24N4O2S
Molecular Weight600.70 g/mol
Exact Mass600.16
IUPAC Name2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cn3)ccc21
InChIInChI=1S/C38H24N4O2S/c43-45(44)34-14-8-7-13-31(34)32-23-29(20-22-35(32)45)33-21-19-30(24-39-33)38-41-36(27-11-5-2-6-12-27)40-37(42-38)28-17-15-26(16-18-28)25-9-3-1-4-10-25/h1-24H
InChIKeyHIHVNYNQAKOTDK-UHFFFAOYSA-N
XLogP8.41
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.70
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]dibenzothiophene 5,5-dioxide with MolForge

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Related Compounds

4-(2,6-diphenylpyrimidin-4-yl)-26λ6-thiahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaene 26,26-dioxide
CID 134572058
3-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide
CID 169131653
3-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide
CID 176754964
2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophene 5,5-dioxide
CID 163540814
[6-(5,5-dioxodibenzothiophen-3-yl)-3-pyridinyl]-dimethyl-phenylsilane
CID 140720125
2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 146632433
2-[4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]dibenzothiophene 5,5-dioxide
CID 134595238
3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide
CID 176754949
4-[4,6-bis[3-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-yl]-26λ6-thiahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaene 26,26-dioxide
CID 134572110
2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 146633338
2-[5-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-pyridinyl]-4-phenyl-6-pyridin-2-ylpyridine;2-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]dibenzothiophene 5,5-dioxide
CID 165075410
11'-[6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-[6-phenyl-2-(6-pyridin-3-yl-3-pyridinyl)pyrimidin-4-yl]spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide;11'-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene] 12,12-dioxide
CID 158092779

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]dibenzothiophene 5,5-dioxide?
The IUPAC name of 2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]dibenzothiophene 5,5-dioxide (CID 163613885) is 2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]dibenzothiophene 5,5-dioxide.
What is the SMILES notation for 2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]dibenzothiophene 5,5-dioxide?
The canonical SMILES for 2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]dibenzothiophene 5,5-dioxide is O=S1(=O)c2ccccc2-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cn3)ccc21.
What is the InChIKey of 2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]dibenzothiophene 5,5-dioxide?
The InChIKey is HIHVNYNQAKOTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O2S/c43-45(44)34-14-8-7-13-31(34)32-23-29(20-22-35(32)45)33-21-19-30(24-39-33)38-41-36(27-11-5-2-6-12-27)40-37(42-38)28-17-15-26(16-18-28)25-9-3-1-4-10-25/h1-24H.
What are the key properties of 2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]dibenzothiophene 5,5-dioxide?
2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]dibenzothiophene 5,5-dioxide has a molecular weight of 600.70 g/mol, XLogP of 8.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]dibenzothiophene 5,5-dioxide is sourced from PubChem (CID 163613885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).