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
SMILESC1=CC=C(C=C1)C2=C(C(=CC=C2)C3=C(C=CC4=C3C5=CC=CC=C5S4)C6=CC=CC=C6)C7=NN=NC(=C7C8=CC=CC=N8)C9=CC=CC=C9
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
LogP10.50
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
SMILESC1=CC=C(C=C1)C2=C(C(=CC=C2)C3=C(C=CC4=C3C5=CC=CC=C5S4)C6=CC=CC=C6)C7=NN=NC(=C7C8=CC=CC=N8)C9=CC=CC=C9
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
XLogP10.50
TPSA79.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms49
Complexity1040

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.80
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-Phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=C(C=CC4=C3C5=CC=CC=C5S4)C6=CC=CC=C6)C7=NN=NC(=C7C8=CC=CC=N8)C9=CC=CC=C9.
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 10.50, 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).