4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine

C47H29NS2 — CID 59133526

IUPAC4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H29NS2/c1-3-13-30(14-4-1)42-28-33(29-43(48-42)31-15-5-2-6-16-31)32-25-34(36-19-11-21-40-38-17-7-9-23-44(38)49-46(36)40)27-35(26-32)37-20-12-22-41-39-18-8-10-24-45(39)50-47(37)41/h1-29H
InChIKeyUCNRYQPZMBBCAV-UHFFFAOYSA-N
MW671.89 g/mol
LogP14.15
Rot. Bonds5

About 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine

4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine (PubChem CID 59133526) has the molecular formula C47H29NS2 and a molecular weight of 671.89 g/mol. Its IUPAC name is 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine
PubChem CID59133526
Molecular FormulaC47H29NS2
Molecular Weight671.89 g/mol
Exact Mass671.17
IUPAC Name4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H29NS2/c1-3-13-30(14-4-1)42-28-33(29-43(48-42)31-15-5-2-6-16-31)32-25-34(36-19-11-21-40-38-17-7-9-23-44(38)49-46(36)40)27-35(26-32)37-20-12-22-41-39-18-8-10-24-45(39)50-47(37)41/h1-29H
InChIKeyUCNRYQPZMBBCAV-UHFFFAOYSA-N
XLogP14.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.89
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine 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-[3-dibenzothiophen-4-yl-5-(3-dibenzothiophen-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171585763
4-[3-dibenzothiophen-4-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583500
4-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-2,6-diphenylpyrimidine
CID 171582581
4-[3-dibenzothiophen-4-yl-5-(4-naphthalen-1-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171582604
4-[3-dibenzothiophen-4-yl-5-(2-dibenzothiophen-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171582895
2-dibenzothiophen-2-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171583300
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
CID 171585810
4-[4-(3,5-diphenylphenyl)naphthalen-1-yl]dibenzothiophene
CID 59133620
4-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 153301922
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-2-naphthalen-2-yl-6-phenylpyrimidine
CID 171583119
4-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-2-naphthalen-2-yl-6-phenylpyrimidine
CID 171582844
4-dibenzothiophen-4-yl-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-(2-phenylphenyl)pyrimidine
CID 165160254

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine (CID 59133526) is 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine is c1ccc(-c2cc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine?
The InChIKey is UCNRYQPZMBBCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29NS2/c1-3-13-30(14-4-1)42-28-33(29-43(48-42)31-15-5-2-6-16-31)32-25-34(36-19-11-21-40-38-17-7-9-23-44(38)49-46(36)40)27-35(26-32)37-20-12-22-41-39-18-8-10-24-45(39)50-47(37)41/h1-29H.
What are the key properties of 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine?
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine has a molecular weight of 671.89 g/mol, XLogP of 14.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 59133526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).