2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine

C47H29N3S — CID 139442171

IUPAC2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine
SMILESc1cc(-c2nc(-c3ccccc3-c3cccc4ccccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C47H29N3S/c1-3-19-34-30(13-1)15-10-24-36(34)32-17-9-18-33(29-32)45-48-46(41-23-6-5-21-38(41)37-25-11-16-31-14-2-4-20-35(31)37)50-47(49-45)42-27-12-26-40-39-22-7-8-28-43(39)51-44(40)42/h1-29H
InChIKeyCCUZSYDZQLSCJP-UHFFFAOYSA-N
MW667.84 g/mol
LogP12.88
Rot. Bonds5

About 2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine

2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine (PubChem CID 139442171) has the molecular formula C47H29N3S and a molecular weight of 667.84 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine
PubChem CID139442171
Molecular FormulaC47H29N3S
Molecular Weight667.84 g/mol
Exact Mass667.21
IUPAC Name2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine
SMILESc1cc(-c2nc(-c3ccccc3-c3cccc4ccccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C47H29N3S/c1-3-19-34-30(13-1)15-10-24-36(34)32-17-9-18-33(29-32)45-48-46(41-23-6-5-21-38(41)37-25-11-16-31-14-2-4-20-35(31)37)50-47(49-45)42-27-12-26-40-39-22-7-8-28-43(39)51-44(40)42/h1-29H
InChIKeyCCUZSYDZQLSCJP-UHFFFAOYSA-N
XLogP12.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.84
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-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-dibenzothiophen-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139441954
2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139441909
2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-(3-phenanthren-9-ylphenyl)-1,3,5-triazine
CID 155481419
2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 161018088
2-dibenzothiophen-4-yl-4-(6-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 176587486
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-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155763972
2-dibenzothiophen-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 155480695
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 139442371
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 167349426
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 177112658
2-dibenzothiophen-4-yl-4-(3-phenanthren-9-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazine
CID 139441740

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine (CID 139442171) is 2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine is c1cc(-c2nc(-c3ccccc3-c3cccc4ccccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine?
The InChIKey is CCUZSYDZQLSCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3S/c1-3-19-34-30(13-1)15-10-24-36(34)32-17-9-18-33(29-32)45-48-46(41-23-6-5-21-38(41)37-25-11-16-31-14-2-4-20-35(31)37)50-47(49-45)42-27-12-26-40-39-22-7-8-28-43(39)51-44(40)42/h1-29H.
What are the key properties of 2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine has a molecular weight of 667.84 g/mol, XLogP of 12.88, 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-(2-naphthalen-1-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 139442171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).