2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine

C48H30N6S — CID 146251324

IUPAC2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccc5c(c4)sc4ccccc45)n3)n2)cc1
InChIInChI=1S/C48H30N6S/c1-4-16-31(17-5-1)43-49-44(32-18-6-2-7-19-32)51-47(50-43)39-25-12-13-26-40(39)48-53-45(33-20-8-3-9-21-33)52-46(54-48)38-24-11-10-22-35(38)34-28-29-37-36-23-14-15-27-41(36)55-42(37)30-34/h1-30H
InChIKeyWKGHLPUJRAQINW-UHFFFAOYSA-N
MW722.88 g/mol
LogP12.09
Rot. Bonds7

About 2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine

2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 146251324) has the molecular formula C48H30N6S and a molecular weight of 722.88 g/mol. Its IUPAC name is 2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID146251324
Molecular FormulaC48H30N6S
Molecular Weight722.88 g/mol
Exact Mass722.23
IUPAC Name2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccc5c(c4)sc4ccccc45)n3)n2)cc1
InChIInChI=1S/C48H30N6S/c1-4-16-31(17-5-1)43-49-44(32-18-6-2-7-19-32)51-47(50-43)39-25-12-13-26-40(39)48-53-45(33-20-8-3-9-21-33)52-46(54-48)38-24-11-10-22-35(38)34-28-29-37-36-23-14-15-27-41(36)55-42(37)30-34/h1-30H
InChIKeyWKGHLPUJRAQINW-UHFFFAOYSA-N
XLogP12.09
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.88
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-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-[7-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192093
2-[4-[4-(4-dibenzothiophen-3-ylphenyl)phenyl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942425
2-[8-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192267
2-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 172509591
2-(3-dibenzothiophen-3-ylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942654
2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402474
2-dibenzothiophen-3-yl-4-[4-dibenzothiophen-2-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146648181
2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139305041
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 146669978
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176831433
2-(4-chloronaphthalen-1-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
CID 163715789
2-dibenzothiophen-3-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 138654698

Frequently Asked Questions

What is the IUPAC name of 2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 146251324) is 2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccc5c(c4)sc4ccccc45)n3)n2)cc1.
What is the InChIKey of 2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is WKGHLPUJRAQINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N6S/c1-4-16-31(17-5-1)43-49-44(32-18-6-2-7-19-32)51-47(50-43)39-25-12-13-26-40(39)48-53-45(33-20-8-3-9-21-33)52-46(54-48)38-24-11-10-22-35(38)34-28-29-37-36-23-14-15-27-41(36)55-42(37)30-34/h1-30H.
What are the key properties of 2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 722.88 g/mol, XLogP of 12.09, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 146251324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).