2,4-bis(4-phenylphenyl)-6-(2,6,8-triphenyldibenzothiophen-4-yl)-1,3,5-triazine

C57H37N3S — CID 164838407

IUPAC2,4-bis(4-phenylphenyl)-6-(2,6,8-triphenyldibenzothiophen-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)cc5c4sc4c(-c6ccccc6)cc(-c6ccccc6)cc45)n3)cc2)cc1
InChIInChI=1S/C57H37N3S/c1-6-16-38(17-7-1)42-26-30-45(31-27-42)55-58-56(46-32-28-43(29-33-46)39-18-8-2-9-19-39)60-57(59-55)52-37-48(41-22-12-4-13-23-41)36-51-50-35-47(40-20-10-3-11-21-40)34-49(53(50)61-54(51)52)44-24-14-5-15-25-44/h1-37H
InChIKeySTQRSMNYPPMCRV-UHFFFAOYSA-N
MW796.01 g/mol
LogP15.58
Rot. Bonds8

About 2,4-bis(4-phenylphenyl)-6-(2,6,8-triphenyldibenzothiophen-4-yl)-1,3,5-triazine

2,4-bis(4-phenylphenyl)-6-(2,6,8-triphenyldibenzothiophen-4-yl)-1,3,5-triazine (PubChem CID 164838407) has the molecular formula C57H37N3S and a molecular weight of 796.01 g/mol. Its IUPAC name is 2,4-bis(4-phenylphenyl)-6-(2,6,8-triphenyldibenzothiophen-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-phenylphenyl)-6-(2,6,8-triphenyldibenzothiophen-4-yl)-1,3,5-triazine
PubChem CID164838407
Molecular FormulaC57H37N3S
Molecular Weight796.01 g/mol
Exact Mass795.27
IUPAC Name2,4-bis(4-phenylphenyl)-6-(2,6,8-triphenyldibenzothiophen-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)cc5c4sc4c(-c6ccccc6)cc(-c6ccccc6)cc45)n3)cc2)cc1
InChIInChI=1S/C57H37N3S/c1-6-16-38(17-7-1)42-26-30-45(31-27-42)55-58-56(46-32-28-43(29-33-46)39-18-8-2-9-19-39)60-57(59-55)52-37-48(41-22-12-4-13-23-41)36-51-50-35-47(40-20-10-3-11-21-40)34-49(53(50)61-54(51)52)44-24-14-5-15-25-44/h1-37H
InChIKeySTQRSMNYPPMCRV-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 2,4-bis(4-phenylphenyl)-6-(2,6,8-triphenyldibenzothiophen-4-yl)-1,3,5-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

2-[2,6-bis(4-phenylphenyl)dibenzothiophen-4-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 156574620
2-[3-(2,6-diphenyldibenzothiophen-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 156574562
2-[3-(6,8-diphenyldibenzothiophen-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164838378
2-[4-[4-(6,8-diphenyldibenzothiophen-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164838501
2-dibenzothiophen-3-yl-4-(2,6-diphenyldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine
CID 156574591
2-(4-phenanthren-3-yl-6,8-diphenyldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 149323355
2-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-4-yl]phenyl]-4,6-diphenylpyrimidine
CID 149123811
2,4-diphenyl-6-[3-phenyl-5-(4-phenyldibenzothiophen-2-yl)phenyl]pyrimidine
CID 171583486
2-(2,6-dinaphthalen-1-yldibenzothiophen-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 156574588
2-phenyl-4-(3-phenylphenyl)-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 118650922
2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzothiophen-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139312034
2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171052509

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-phenylphenyl)-6-(2,6,8-triphenyldibenzothiophen-4-yl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-phenylphenyl)-6-(2,6,8-triphenyldibenzothiophen-4-yl)-1,3,5-triazine (CID 164838407) is 2,4-bis(4-phenylphenyl)-6-(2,6,8-triphenyldibenzothiophen-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-phenylphenyl)-6-(2,6,8-triphenyldibenzothiophen-4-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-phenylphenyl)-6-(2,6,8-triphenyldibenzothiophen-4-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)cc5c4sc4c(-c6ccccc6)cc(-c6ccccc6)cc45)n3)cc2)cc1.
What is the InChIKey of 2,4-bis(4-phenylphenyl)-6-(2,6,8-triphenyldibenzothiophen-4-yl)-1,3,5-triazine?
The InChIKey is STQRSMNYPPMCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3S/c1-6-16-38(17-7-1)42-26-30-45(31-27-42)55-58-56(46-32-28-43(29-33-46)39-18-8-2-9-19-39)60-57(59-55)52-37-48(41-22-12-4-13-23-41)36-51-50-35-47(40-20-10-3-11-21-40)34-49(53(50)61-54(51)52)44-24-14-5-15-25-44/h1-37H.
What are the key properties of 2,4-bis(4-phenylphenyl)-6-(2,6,8-triphenyldibenzothiophen-4-yl)-1,3,5-triazine?
2,4-bis(4-phenylphenyl)-6-(2,6,8-triphenyldibenzothiophen-4-yl)-1,3,5-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 2,4-bis(4-phenylphenyl)-6-(2,6,8-triphenyldibenzothiophen-4-yl)-1,3,5-triazine is sourced from PubChem (CID 164838407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).