2-[2,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline

C48H28N2S2 — CID 90050133

IUPAC2-[2,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cc(-c6ccc7sc8ccccc8c7c6)ccc5-c5ccc6sc7ccccc7c6c5)nc4c3n2)cc1
InChIInChI=1S/C48H28N2S2/c1-2-8-29(9-3-1)41-22-17-30-14-15-31-18-23-42(50-48(31)47(30)49-41)38-26-32(33-19-24-45-39(27-33)36-10-4-6-12-43(36)51-45)16-21-35(38)34-20-25-46-40(28-34)37-11-5-7-13-44(37)52-46/h1-28H
InChIKeyFCLRYQVSEOHKJF-UHFFFAOYSA-N
MW696.90 g/mol
LogP14.19
Rot. Bonds4

About 2-[2,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline

2-[2,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline (PubChem CID 90050133) has the molecular formula C48H28N2S2 and a molecular weight of 696.90 g/mol. Its IUPAC name is 2-[2,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-[2,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline
PubChem CID90050133
Molecular FormulaC48H28N2S2
Molecular Weight696.90 g/mol
Exact Mass696.17
IUPAC Name2-[2,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cc(-c6ccc7sc8ccccc8c7c6)ccc5-c5ccc6sc7ccccc7c6c5)nc4c3n2)cc1
InChIInChI=1S/C48H28N2S2/c1-2-8-29(9-3-1)41-22-17-30-14-15-31-18-23-42(50-48(31)47(30)49-41)38-26-32(33-19-24-45-39(27-33)36-10-4-6-12-43(36)51-45)16-21-35(38)34-20-25-46-40(28-34)37-11-5-7-13-44(37)52-46/h1-28H
InChIKeyFCLRYQVSEOHKJF-UHFFFAOYSA-N
XLogP14.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.90
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline 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-[3,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 90050126
2-(7-dibenzothiophen-2-ylphenanthren-2-yl)-9-phenyl-1,10-phenanthroline
CID 134410357
2-(3-dibenzothiophen-2-ylphenyl)-9-fluoranthen-3-yl-1,10-phenanthroline
CID 90050017
2-[3-dibenzothiophen-2-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 154954847
bis(2-(3-dibenzothiophen-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline);2-(3-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(2-dibenzothiophen-3-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-1,10-phenanthroline
CID 160863182
2-(4-dibenzothiophen-2-ylphenyl)-9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-1,10-phenanthroline
CID 90050302
2-[3-[6-(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 90050125
2-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402474
2-[4-[8-[4-(1,10-phenanthrolin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,10-phenanthroline
CID 90050142
2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 138725024
2-[3-[5-[6-(3-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidin-4-yl]-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 175619736
2-phenyl-[1]benzothiolo[3,2-b]pyridine
CID 69206815

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline?
The IUPAC name of 2-[2,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline (CID 90050133) is 2-[2,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline.
What is the SMILES notation for 2-[2,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline?
The canonical SMILES for 2-[2,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5cc(-c6ccc7sc8ccccc8c7c6)ccc5-c5ccc6sc7ccccc7c6c5)nc4c3n2)cc1.
What is the InChIKey of 2-[2,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline?
The InChIKey is FCLRYQVSEOHKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2S2/c1-2-8-29(9-3-1)41-22-17-30-14-15-31-18-23-42(50-48(31)47(30)49-41)38-26-32(33-19-24-45-39(27-33)36-10-4-6-12-43(36)51-45)16-21-35(38)34-20-25-46-40(28-34)37-11-5-7-13-44(37)52-46/h1-28H.
What are the key properties of 2-[2,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline?
2-[2,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline has a molecular weight of 696.90 g/mol, XLogP of 14.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 90050133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).