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

C49H29N3S2 — CID 168721762

IUPAC2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5ccccc45)c4sc5c(-c6ccc7sc8ccccc8c7c6)cccc5c34)n2)cc1
InChIInChI=1S/C49H29N3S2/c1-3-14-31(15-4-1)47-50-48(32-16-5-2-6-17-32)52-49(51-47)40-27-26-38(36-22-11-18-30-13-7-8-19-34(30)36)46-44(40)39-23-12-21-35(45(39)54-46)33-25-28-43-41(29-33)37-20-9-10-24-42(37)53-43/h1-29H
InChIKeyWPSVISJYKOOWLL-UHFFFAOYSA-N
MW723.93 g/mol
LogP14.10
Rot. Bonds5

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

2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 168721762) has the molecular formula C49H29N3S2 and a molecular weight of 723.93 g/mol. Its IUPAC name is 2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID168721762
Molecular FormulaC49H29N3S2
Molecular Weight723.93 g/mol
Exact Mass723.18
IUPAC Name2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5ccccc45)c4sc5c(-c6ccc7sc8ccccc8c7c6)cccc5c34)n2)cc1
InChIInChI=1S/C49H29N3S2/c1-3-14-31(15-4-1)47-50-48(32-16-5-2-6-17-32)52-49(51-47)40-27-26-38(36-22-11-18-30-13-7-8-19-34(30)36)46-44(40)39-23-12-21-35(45(39)54-46)33-25-28-43-41(29-33)37-20-9-10-24-42(37)53-43/h1-29H
InChIKeyWPSVISJYKOOWLL-UHFFFAOYSA-N
XLogP14.10
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.93
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-naphthalen-1-yl-6-phenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 156574856
2-(8-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952729
2-dibenzothiophen-2-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050063
2-[3-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 122679618
2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952783
4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-[4-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)dibenzothiophen-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 149438795
2-(3-dibenzothiophen-2-yl-5-dibenzothiophen-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402536
2,4-diphenyl-6-[8-(1-phenyldibenzothiophen-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199239
2-(3-dibenzothiophen-4-ylphenyl)-4-[3-[3-[4-[2-[9-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-[7-[3-[4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]dibenzothiophen-1-yl]dibenzothiophen-2-yl]phenyl]phenyl]phenyl]-8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazine
CID 155470926
2-(8-chrysen-6-yldibenzothiophen-1-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 134199393
2-(2-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[8-[2-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199444
2-chrysen-1-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 168795993

Frequently Asked Questions

What is the IUPAC name of 2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine (CID 168721762) is 2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5ccccc45)c4sc5c(-c6ccc7sc8ccccc8c7c6)cccc5c34)n2)cc1.
What is the InChIKey of 2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is WPSVISJYKOOWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3S2/c1-3-14-31(15-4-1)47-50-48(32-16-5-2-6-17-32)52-49(51-47)40-27-26-38(36-22-11-18-30-13-7-8-19-34(30)36)46-44(40)39-23-12-21-35(45(39)54-46)33-25-28-43-41(29-33)37-20-9-10-24-42(37)53-43/h1-29H.
What are the key properties of 2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine?
2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 723.93 g/mol, XLogP of 14.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 168721762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).