4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine

C51H33N3S — CID 166133514

IUPAC4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine
SMILESc1ccc(-c2ccccc2-c2cccc(-c3nnnc(-c4ccccc4-c4ccccc4)c3-c3ccccc3)c2-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C51H33N3S/c1-4-18-34(19-5-1)37-24-10-12-26-39(37)40-29-16-31-44(48(40)43-30-17-33-46-49(43)42-28-14-15-32-45(42)55-46)51-47(36-22-8-3-9-23-36)50(52-54-53-51)41-27-13-11-25-38(41)35-20-6-2-7-21-35/h1-33H
InChIKeyZSGFVTVVAAUDOI-UHFFFAOYSA-N
MW719.91 g/mol
LogP13.91
Rot. Bonds7

About 4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine

4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine (PubChem CID 166133514) has the molecular formula C51H33N3S and a molecular weight of 719.91 g/mol. Its IUPAC name is 4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine.

Molecular Properties

Compound Name4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine
PubChem CID166133514
Molecular FormulaC51H33N3S
Molecular Weight719.91 g/mol
Exact Mass719.24
IUPAC Name4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine
SMILESc1ccc(-c2ccccc2-c2cccc(-c3nnnc(-c4ccccc4-c4ccccc4)c3-c3ccccc3)c2-c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C51H33N3S/c1-4-18-34(19-5-1)37-24-10-12-26-39(37)40-29-16-31-44(48(40)43-30-17-33-46-49(43)42-28-14-15-32-45(42)55-46)51-47(36-22-8-3-9-23-36)50(52-54-53-51)41-27-13-11-25-38(41)35-20-6-2-7-21-35/h1-33H
InChIKeyZSGFVTVVAAUDOI-UHFFFAOYSA-N
XLogP13.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.91
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine
CID 166135108
4,5-diphenyl-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166133527
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 172700237
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134551
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166134291
1-(2-phenyl-6-triphenylen-1-ylphenyl)dibenzothiophene
CID 166134859
4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine
CID 175594593
1-phenyldibenzothiophene;hydrobromide
CID 174679709
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 166134087
4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine
CID 175594594
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 166133543
4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine
CID 175803574

Frequently Asked Questions

What is the IUPAC name of 4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine?
The IUPAC name of 4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine (CID 166133514) is 4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine.
What is the SMILES notation for 4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine?
The canonical SMILES for 4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine is c1ccc(-c2ccccc2-c2cccc(-c3nnnc(-c4ccccc4-c4ccccc4)c3-c3ccccc3)c2-c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of 4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine?
The InChIKey is ZSGFVTVVAAUDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3S/c1-4-18-34(19-5-1)37-24-10-12-26-39(37)40-29-16-31-44(48(40)43-30-17-33-46-49(43)42-28-14-15-32-45(42)55-46)51-47(36-22-8-3-9-23-36)50(52-54-53-51)41-27-13-11-25-38(41)35-20-6-2-7-21-35/h1-33H.
What are the key properties of 4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine?
4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine has a molecular weight of 719.91 g/mol, XLogP of 13.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine is sourced from PubChem (CID 166133514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).