4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine

C44H28N4S — CID 175803574

IUPAC4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine
SMILESc1ccc(-c2cccc(-c3c(-c4ccccc4)ccc4sc5ccccc5c34)c2-c2nnnc(-c3ccccc3)c2-c2ccccn2)cc1
InChIInChI=1S/C44H28N4S/c1-4-15-29(16-5-1)32-22-14-23-35(39-33(30-17-6-2-7-18-30)26-27-38-41(39)34-21-10-11-25-37(34)49-38)40(32)44-42(36-24-12-13-28-45-36)43(46-48-47-44)31-19-8-3-9-20-31/h1-28H
InChIKeyBYLFGUIUTBECLJ-UHFFFAOYSA-N
MW644.80 g/mol
LogP11.64
Rot. Bonds6

About 4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine

4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine (PubChem CID 175803574) has the molecular formula C44H28N4S and a molecular weight of 644.80 g/mol. Its IUPAC name is 4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine.

Molecular Properties

Compound Name4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine
PubChem CID175803574
Molecular FormulaC44H28N4S
Molecular Weight644.80 g/mol
Exact Mass644.20
IUPAC Name4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine
SMILESc1ccc(-c2cccc(-c3c(-c4ccccc4)ccc4sc5ccccc5c34)c2-c2nnnc(-c3ccccc3)c2-c2ccccn2)cc1
InChIInChI=1S/C44H28N4S/c1-4-15-29(16-5-1)32-22-14-23-35(39-33(30-17-6-2-7-18-30)26-27-38-41(39)34-21-10-11-25-37(34)49-38)40(32)44-42(36-24-12-13-28-45-36)43(46-48-47-44)31-19-8-3-9-20-31/h1-28H
InChIKeyBYLFGUIUTBECLJ-UHFFFAOYSA-N
XLogP11.64
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.80
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine
CID 175869357
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
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
4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine
CID 166135108
4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine
CID 166133514
2-(2-bromodibenzothiophen-1-yl)pyridine
CID 162354836
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134723
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-[2,3-bis(1-benzothiophen-2-yl)-6-phenyl-4-pyridin-2-ylphenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-[2-phenyl-6-(2-phenyl-3-pyridin-2-yldibenzoselenophen-1-yl)phenyl]triazine;4,5-diphenyl-6-[2-phenyl-6-(2-pyridin-2-yldibenzofuran-1-yl)phenyl]triazine;2-phenylpyridine
CID 175536306

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine?
The IUPAC name of 4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine (CID 175803574) is 4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine.
What is the SMILES notation for 4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine?
The canonical SMILES for 4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine is c1ccc(-c2cccc(-c3c(-c4ccccc4)ccc4sc5ccccc5c34)c2-c2nnnc(-c3ccccc3)c2-c2ccccn2)cc1.
What is the InChIKey of 4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine?
The InChIKey is BYLFGUIUTBECLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4S/c1-4-15-29(16-5-1)32-22-14-23-35(39-33(30-17-6-2-7-18-30)26-27-38-41(39)34-21-10-11-25-37(34)49-38)40(32)44-42(36-24-12-13-28-45-36)43(46-48-47-44)31-19-8-3-9-20-31/h1-28H.
What are the key properties of 4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine?
4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine has a molecular weight of 644.80 g/mol, XLogP of 11.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine is sourced from PubChem (CID 175803574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).