2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine

C39H23N3S2 — CID 166953027

IUPAC2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3cccc(-c5cccc6c5sc5ccccc56)c34)n2)cc1
InChIInChI=1S/C39H23N3S2/c1-3-12-24(13-4-1)37-40-38(25-14-5-2-6-15-25)42-39(41-37)31-21-10-20-30-34-27(17-11-23-33(34)44-36(30)31)29-19-9-18-28-26-16-7-8-22-32(26)43-35(28)29/h1-23H
InChIKeyVCCGJINEJOBPLL-UHFFFAOYSA-N
MW597.77 g/mol
LogP11.28
Rot. Bonds4

About 2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine

2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 166953027) has the molecular formula C39H23N3S2 and a molecular weight of 597.77 g/mol. Its IUPAC name is 2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID166953027
Molecular FormulaC39H23N3S2
Molecular Weight597.77 g/mol
Exact Mass597.13
IUPAC Name2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3cccc(-c5cccc6c5sc5ccccc56)c34)n2)cc1
InChIInChI=1S/C39H23N3S2/c1-3-12-24(13-4-1)37-40-38(25-14-5-2-6-15-25)42-39(41-37)31-21-10-20-30-34-27(17-11-23-33(34)44-36(30)31)29-19-9-18-28-26-16-7-8-22-32(26)43-35(28)29/h1-23H
InChIKeyVCCGJINEJOBPLL-UHFFFAOYSA-N
XLogP11.28
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.77
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 164737126
2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 118539812
2-phenyl-4-[9-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200058
2,4-diphenyl-6-[9-[1-(4-phenylphenyl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine
CID 170202059
2-naphtho[1,2-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine
CID 146658673
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 177112658
2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine
CID 139304158
2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-(3-dibenzothiophen-1-ylphenyl)-1,3,5-triazine
CID 139305040
2-phenyl-4-[9-(4-phenyldibenzothiophen-1-yl)dibenzothiophen-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170200044
2-dibenzothiophen-4-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine
CID 155050305
2,4-diphenyl-6-[6-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 170199450

Frequently Asked Questions

What is the IUPAC name of 2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine (CID 166953027) is 2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3cccc(-c5cccc6c5sc5ccccc56)c34)n2)cc1.
What is the InChIKey of 2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is VCCGJINEJOBPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N3S2/c1-3-12-24(13-4-1)37-40-38(25-14-5-2-6-15-25)42-39(41-37)31-21-10-20-30-34-27(17-11-23-33(34)44-36(30)31)29-19-9-18-28-26-16-7-8-22-32(26)43-35(28)29/h1-23H.
What are the key properties of 2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine?
2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 597.77 g/mol, XLogP of 11.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 166953027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).