2-dibenzothiophen-4-yl-4-[4-(3,5-dimethylphenyl)naphthalen-1-yl]-6-[4-(3,5-dimethylphenyl)phenyl]-1,3,5-triazine

C47H35N3S — CID 139442107

IUPAC2-dibenzothiophen-4-yl-4-[4-(3,5-dimethylphenyl)naphthalen-1-yl]-6-[4-(3,5-dimethylphenyl)phenyl]-1,3,5-triazine
SMILESCc1cc(C)cc(-c2ccc(-c3nc(-c4ccc(-c5cc(C)cc(C)c5)c5ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)cc2)c1
InChIInChI=1S/C47H35N3S/c1-28-22-29(2)25-34(24-28)32-16-18-33(19-17-32)45-48-46(50-47(49-45)42-14-9-13-40-39-12-7-8-15-43(39)51-44(40)42)41-21-20-36(37-10-5-6-11-38(37)41)35-26-30(3)23-31(4)27-35/h5-27H,1-4H3
InChIKeyAQJGCZWVZYQODH-UHFFFAOYSA-N
MW673.88 g/mol
LogP12.96
Rot. Bonds5

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

2-dibenzothiophen-4-yl-4-[4-(3,5-dimethylphenyl)naphthalen-1-yl]-6-[4-(3,5-dimethylphenyl)phenyl]-1,3,5-triazine (PubChem CID 139442107) has the molecular formula C47H35N3S and a molecular weight of 673.88 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-[4-(3,5-dimethylphenyl)naphthalen-1-yl]-6-[4-(3,5-dimethylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-[4-(3,5-dimethylphenyl)naphthalen-1-yl]-6-[4-(3,5-dimethylphenyl)phenyl]-1,3,5-triazine
PubChem CID139442107
Molecular FormulaC47H35N3S
Molecular Weight673.88 g/mol
Exact Mass673.26
IUPAC Name2-dibenzothiophen-4-yl-4-[4-(3,5-dimethylphenyl)naphthalen-1-yl]-6-[4-(3,5-dimethylphenyl)phenyl]-1,3,5-triazine
SMILESCc1cc(C)cc(-c2ccc(-c3nc(-c4ccc(-c5cc(C)cc(C)c5)c5ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)cc2)c1
InChIInChI=1S/C47H35N3S/c1-28-22-29(2)25-34(24-28)32-16-18-33(19-17-32)45-48-46(50-47(49-45)42-14-9-13-40-39-12-7-8-15-43(39)51-44(40)42)41-21-20-36(37-10-5-6-11-38(37)41)35-26-30(3)23-31(4)27-35/h5-27H,1-4H3
InChIKeyAQJGCZWVZYQODH-UHFFFAOYSA-N
XLogP12.96
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.88
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzothiophen-4-yl-4-[4-(3,5-dimethylphenyl)naphthalen-1-yl]-6-[4-(3,5-dimethylphenyl)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-[4-(4-tert-butylphenyl)phenyl]-4-dibenzothiophen-4-yl-6-[4-(3,5-dimethylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139441977
2-dibenzothiophen-4-yl-4-[4-(3-phenylphenyl)naphthalen-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 155481333
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 147261190
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine
CID 139441835
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 177112658
2-dibenzothiophen-4-yl-4-[4-[4-[4-[3-[4-dibenzothiophen-4-yl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 139442123
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
CID 155481250
2-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 139442311
2-(3-dibenzothiophen-4-ylphenyl)-4-[4-(3-methylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170201940
2-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 164737126
4-(3-methyl-5-phenylphenyl)dibenzothiophene
CID 129266975

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-[4-(3,5-dimethylphenyl)naphthalen-1-yl]-6-[4-(3,5-dimethylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-[4-(3,5-dimethylphenyl)naphthalen-1-yl]-6-[4-(3,5-dimethylphenyl)phenyl]-1,3,5-triazine (CID 139442107) is 2-dibenzothiophen-4-yl-4-[4-(3,5-dimethylphenyl)naphthalen-1-yl]-6-[4-(3,5-dimethylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-[4-(3,5-dimethylphenyl)naphthalen-1-yl]-6-[4-(3,5-dimethylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-[4-(3,5-dimethylphenyl)naphthalen-1-yl]-6-[4-(3,5-dimethylphenyl)phenyl]-1,3,5-triazine is Cc1cc(C)cc(-c2ccc(-c3nc(-c4ccc(-c5cc(C)cc(C)c5)c5ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)cc2)c1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-[4-(3,5-dimethylphenyl)naphthalen-1-yl]-6-[4-(3,5-dimethylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is AQJGCZWVZYQODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N3S/c1-28-22-29(2)25-34(24-28)32-16-18-33(19-17-32)45-48-46(50-47(49-45)42-14-9-13-40-39-12-7-8-15-43(39)51-44(40)42)41-21-20-36(37-10-5-6-11-38(37)41)35-26-30(3)23-31(4)27-35/h5-27H,1-4H3.
What are the key properties of 2-dibenzothiophen-4-yl-4-[4-(3,5-dimethylphenyl)naphthalen-1-yl]-6-[4-(3,5-dimethylphenyl)phenyl]-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-[4-(3,5-dimethylphenyl)naphthalen-1-yl]-6-[4-(3,5-dimethylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 673.88 g/mol, XLogP of 12.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-[4-(3,5-dimethylphenyl)naphthalen-1-yl]-6-[4-(3,5-dimethylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 139442107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).