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

C57H37N3S — CID 172700237

IUPAC4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
SMILESc1ccc(-c2ccccc2-c2ccc3sc4ccccc4c3c2-c2c(-c3ccccc3)cccc2-c2nnnc(-c3ccccc3)c2-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C57H37N3S/c1-5-20-38(21-6-1)42-28-13-15-30-45(42)47-36-37-51-53(48-32-17-18-35-50(48)61-51)54(47)52-44(40-24-9-3-10-25-40)33-19-34-49(52)57-55(56(58-60-59-57)41-26-11-4-12-27-41)46-31-16-14-29-43(46)39-22-7-2-8-23-39/h1-37H
InChIKeyCWCPTOMYFQMRGV-UHFFFAOYSA-N
MW796.01 g/mol
LogP15.58
Rot. Bonds8

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

4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine (PubChem CID 172700237) has the molecular formula C57H37N3S and a molecular weight of 796.01 g/mol. Its IUPAC name is 4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine.

Molecular Properties

Compound Name4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
PubChem CID172700237
Molecular FormulaC57H37N3S
Molecular Weight796.01 g/mol
Exact Mass795.27
IUPAC Name4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
SMILESc1ccc(-c2ccccc2-c2ccc3sc4ccccc4c3c2-c2c(-c3ccccc3)cccc2-c2nnnc(-c3ccccc3)c2-c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C57H37N3S/c1-5-20-38(21-6-1)42-28-13-15-30-45(42)47-36-37-51-53(48-32-17-18-35-50(48)61-51)54(47)52-44(40-24-9-3-10-25-40)33-19-34-49(52)57-55(56(58-60-59-57)41-26-11-4-12-27-41)46-31-16-14-29-43(46)39-22-7-2-8-23-39/h1-37H
InChIKeyCWCPTOMYFQMRGV-UHFFFAOYSA-N
XLogP15.58
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.01
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

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
4,5-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
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-phenyl-6-[2-phenyl-6-(2-phenyldibenzothiophen-1-yl)phenyl]-5-pyridin-2-yltriazine
CID 175803574
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134723
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 166133543
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine
CID 171060190
2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine
CID 175869357
4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 166133631

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine?
The IUPAC name of 4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine (CID 172700237) is 4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine.
What is the SMILES notation for 4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine?
The canonical SMILES for 4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine is c1ccc(-c2ccccc2-c2ccc3sc4ccccc4c3c2-c2c(-c3ccccc3)cccc2-c2nnnc(-c3ccccc3)c2-c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine?
The InChIKey is CWCPTOMYFQMRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3S/c1-5-20-38(21-6-1)42-28-13-15-30-45(42)47-36-37-51-53(48-32-17-18-35-50(48)61-51)54(47)52-44(40-24-9-3-10-25-40)33-19-34-49(52)57-55(56(58-60-59-57)41-26-11-4-12-27-41)46-31-16-14-29-43(46)39-22-7-2-8-23-39/h1-37H.
What are the key properties of 4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine?
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine has a molecular weight of 796.01 g/mol, XLogP of 15.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine is sourced from PubChem (CID 172700237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).