2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4,6-diphenylpyridine

C47H29NS — CID 138600120

IUPAC2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc5c34)c2)cc1
InChIInChI=1S/C47H29NS/c1-3-12-30(13-4-1)34-28-43(31-14-5-2-6-15-31)48-44(29-34)40-20-11-19-38-35-16-7-8-17-36(35)41-26-32(22-24-39(41)47(38)40)33-23-25-46-42(27-33)37-18-9-10-21-45(37)49-46/h1-29H
InChIKeyHNXBWTMMJXDETN-UHFFFAOYSA-N
MW639.82 g/mol
LogP13.58
Rot. Bonds4

About 2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4,6-diphenylpyridine

2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4,6-diphenylpyridine (PubChem CID 138600120) has the molecular formula C47H29NS and a molecular weight of 639.82 g/mol. Its IUPAC name is 2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4,6-diphenylpyridine
PubChem CID138600120
Molecular FormulaC47H29NS
Molecular Weight639.82 g/mol
Exact Mass639.20
IUPAC Name2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc5c34)c2)cc1
InChIInChI=1S/C47H29NS/c1-3-12-30(13-4-1)34-28-43(31-14-5-2-6-15-31)48-44(29-34)40-20-11-19-38-35-16-7-8-17-36(35)41-26-32(22-24-39(41)47(38)40)33-23-25-46-42(27-33)37-18-9-10-21-45(37)49-46/h1-29H
InChIKeyHNXBWTMMJXDETN-UHFFFAOYSA-N
XLogP13.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.82
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4,6-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-(10-dibenzothiophen-2-yltriphenylen-1-yl)-2,6-diphenylpyrimidine
CID 138600123
2,4-bis(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine
CID 159098528
2-[3-(3-dibenzothiophen-2-yl-2-phenylphenyl)phenyl]-4,6-diphenylpyridine
CID 174327283
2-(5-dibenzothiophen-3-yltriphenylen-2-yl)-4,6-diphenylpyrimidine
CID 138600345
3-[5-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)naphthalen-1-yl]dibenzothiophene;3-[4-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)phenyl]dibenzothiophene;3-[4-(18-phenyl-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaenyl)phenyl]dibenzothiophene
CID 161422968
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-2-(3-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171585058
2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 139518099
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 161455917
2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine
CID 130210857
4-(12-dibenzothiophen-3-yltriphenylen-2-yl)-2,6-diphenylpyrimidine
CID 138600017
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 171584318
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 130359574

Frequently Asked Questions

What is the IUPAC name of 2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4,6-diphenylpyridine?
The IUPAC name of 2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4,6-diphenylpyridine (CID 138600120) is 2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4,6-diphenylpyridine.
What is the SMILES notation for 2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4,6-diphenylpyridine?
The canonical SMILES for 2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4,6-diphenylpyridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc5c34)c2)cc1.
What is the InChIKey of 2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4,6-diphenylpyridine?
The InChIKey is HNXBWTMMJXDETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29NS/c1-3-12-30(13-4-1)34-28-43(31-14-5-2-6-15-31)48-44(29-34)40-20-11-19-38-35-16-7-8-17-36(35)41-26-32(22-24-39(41)47(38)40)33-23-25-46-42(27-33)37-18-9-10-21-45(37)49-46/h1-29H.
What are the key properties of 2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4,6-diphenylpyridine?
2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4,6-diphenylpyridine has a molecular weight of 639.82 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4,6-diphenylpyridine is sourced from PubChem (CID 138600120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).