2-(2-dibenzothiophen-4-ylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline

C40H24N2S — CID 90049996

IUPAC2-(2-dibenzothiophen-4-ylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline
SMILESc1ccc(-c2cccc3c2sc2ccccc23)c(-c2ccc3ccc4ccc(-c5ccc6ccccc6c5)nc4c3n2)c1
InChIInChI=1S/C40H24N2S/c1-2-9-28-24-29(19-16-25(28)8-1)35-22-20-26-17-18-27-21-23-36(42-39(27)38(26)41-35)31-11-4-3-10-30(31)33-13-7-14-34-32-12-5-6-15-37(32)43-40(33)34/h1-24H
InChIKeyAVIQYBRYSAWHCG-UHFFFAOYSA-N
MW564.71 g/mol
LogP11.31
Rot. Bonds3

About 2-(2-dibenzothiophen-4-ylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline

2-(2-dibenzothiophen-4-ylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline (PubChem CID 90049996) has the molecular formula C40H24N2S and a molecular weight of 564.71 g/mol. Its IUPAC name is 2-(2-dibenzothiophen-4-ylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(2-dibenzothiophen-4-ylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline
PubChem CID90049996
Molecular FormulaC40H24N2S
Molecular Weight564.71 g/mol
Exact Mass564.17
IUPAC Name2-(2-dibenzothiophen-4-ylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline
SMILESc1ccc(-c2cccc3c2sc2ccccc23)c(-c2ccc3ccc4ccc(-c5ccc6ccccc6c5)nc4c3n2)c1
InChIInChI=1S/C40H24N2S/c1-2-9-28-24-29(19-16-25(28)8-1)35-22-20-26-17-18-27-21-23-36(42-39(27)38(26)41-35)31-11-4-3-10-30(31)33-13-7-14-34-32-12-5-6-15-37(32)43-40(33)34/h1-24H
InChIKeyAVIQYBRYSAWHCG-UHFFFAOYSA-N
XLogP11.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.71
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-dibenzothiophen-4-ylphenyl)-9-naphthalen-2-yl-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-dibenzothiophen-4-yl-9-[3-(9-dibenzothiophen-4-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 90050285
2-(3-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline
CID 90049990
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-naphthalen-2-yl-9-[4-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 59010533
2-(4-dibenzofuran-2-ylphenyl)-9-dibenzothiophen-4-yl-1,10-phenanthroline
CID 90050253
4-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]dibenzothiophene
CID 174273152
4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene
CID 58536121
2-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 154954934
2-[2-(2-dibenzothiophen-4-ylquinazolin-4-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 171732332
4-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171582976
2-(3-dibenzothiophen-2-ylphenyl)-9-fluoranthen-3-yl-1,10-phenanthroline
CID 90050017
2-phenyl-9-[4-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaen-15-yl)anthracen-1-yl]-1,10-phenanthroline
CID 138739317

Frequently Asked Questions

What is the IUPAC name of 2-(2-dibenzothiophen-4-ylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline?
The IUPAC name of 2-(2-dibenzothiophen-4-ylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline (CID 90049996) is 2-(2-dibenzothiophen-4-ylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline.
What is the SMILES notation for 2-(2-dibenzothiophen-4-ylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline?
The canonical SMILES for 2-(2-dibenzothiophen-4-ylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline is c1ccc(-c2cccc3c2sc2ccccc23)c(-c2ccc3ccc4ccc(-c5ccc6ccccc6c5)nc4c3n2)c1.
What is the InChIKey of 2-(2-dibenzothiophen-4-ylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline?
The InChIKey is AVIQYBRYSAWHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2S/c1-2-9-28-24-29(19-16-25(28)8-1)35-22-20-26-17-18-27-21-23-36(42-39(27)38(26)41-35)31-11-4-3-10-30(31)33-13-7-14-34-32-12-5-6-15-37(32)43-40(33)34/h1-24H.
What are the key properties of 2-(2-dibenzothiophen-4-ylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline?
2-(2-dibenzothiophen-4-ylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline has a molecular weight of 564.71 g/mol, XLogP of 11.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dibenzothiophen-4-ylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline is sourced from PubChem (CID 90049996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).