2-(3-quinolin-2-ylphenyl)-9-(trideuteriomethyl)-1,10-phenanthroline

C28H19N3 — CID 171732086

IUPAC2-(3-quinolin-2-ylphenyl)-9-(trideuteriomethyl)-1,10-phenanthroline
SMILES[2H]C([2H])([2H])c1ccc2ccc3ccc(-c4cccc(-c5ccc6ccccc6n5)c4)nc3c2n1
InChIInChI=1S/C28H19N3/c1-18-9-10-20-11-12-21-14-16-26(31-28(21)27(20)29-18)23-7-4-6-22(17-23)25-15-13-19-5-2-3-8-24(19)30-25/h2-17H,1H3/i1D3
InChIKeyUGUJFXMXKVWGTF-FIBGUPNXSA-N
MW400.50 g/mol
LogP6.97
Rot. Bonds3

About 2-(3-quinolin-2-ylphenyl)-9-(trideuteriomethyl)-1,10-phenanthroline

2-(3-quinolin-2-ylphenyl)-9-(trideuteriomethyl)-1,10-phenanthroline (PubChem CID 171732086) has the molecular formula C28H19N3 and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-(3-quinolin-2-ylphenyl)-9-(trideuteriomethyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(3-quinolin-2-ylphenyl)-9-(trideuteriomethyl)-1,10-phenanthroline
PubChem CID171732086
Molecular FormulaC28H19N3
Molecular Weight400.50 g/mol
Exact Mass400.18
IUPAC Name2-(3-quinolin-2-ylphenyl)-9-(trideuteriomethyl)-1,10-phenanthroline
SMILES[2H]C([2H])([2H])c1ccc2ccc3ccc(-c4cccc(-c5ccc6ccccc6n5)c4)nc3c2n1
InChIInChI=1S/C28H19N3/c1-18-9-10-20-11-12-21-14-16-26(31-28(21)27(20)29-18)23-7-4-6-22(17-23)25-15-13-19-5-2-3-8-24(19)30-25/h2-17H,1H3/i1D3
InChIKeyUGUJFXMXKVWGTF-FIBGUPNXSA-N
XLogP6.97
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-quinolin-2-ylphenyl)-9-(trideuteriomethyl)-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-[3-(3-phenylphenyl)quinoxalin-2-yl]phenyl]-9-(trideuteriomethyl)-1,10-phenanthroline
CID 171732240
2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 59010381
2-[3-(2-phenylphenyl)phenyl]quinoline
CID 68954156
2-naphthalen-2-yl-9-[3-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 59010493
2-methyl-9-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 159054381
2-phenyl-9-[3-(3-phenylquinolin-2-yl)phenyl]-1,10-phenanthroline
CID 171732288
2-[3-benzo[g]quinolin-2-yl-5-(3-quinolin-2-ylphenyl)phenyl]benzo[g]quinoline
CID 139363878
2-quinolin-2-ylbenzo[b][1,10]phenanthroline
CID 11371746
2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline
CID 10741400
2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023081
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]quinoline
CID 160919258

Frequently Asked Questions

What is the IUPAC name of 2-(3-quinolin-2-ylphenyl)-9-(trideuteriomethyl)-1,10-phenanthroline?
The IUPAC name of 2-(3-quinolin-2-ylphenyl)-9-(trideuteriomethyl)-1,10-phenanthroline (CID 171732086) is 2-(3-quinolin-2-ylphenyl)-9-(trideuteriomethyl)-1,10-phenanthroline.
What is the SMILES notation for 2-(3-quinolin-2-ylphenyl)-9-(trideuteriomethyl)-1,10-phenanthroline?
The canonical SMILES for 2-(3-quinolin-2-ylphenyl)-9-(trideuteriomethyl)-1,10-phenanthroline is [2H]C([2H])([2H])c1ccc2ccc3ccc(-c4cccc(-c5ccc6ccccc6n5)c4)nc3c2n1.
What is the InChIKey of 2-(3-quinolin-2-ylphenyl)-9-(trideuteriomethyl)-1,10-phenanthroline?
The InChIKey is UGUJFXMXKVWGTF-FIBGUPNXSA-N. The full InChI is InChI=1S/C28H19N3/c1-18-9-10-20-11-12-21-14-16-26(31-28(21)27(20)29-18)23-7-4-6-22(17-23)25-15-13-19-5-2-3-8-24(19)30-25/h2-17H,1H3/i1D3.
What are the key properties of 2-(3-quinolin-2-ylphenyl)-9-(trideuteriomethyl)-1,10-phenanthroline?
2-(3-quinolin-2-ylphenyl)-9-(trideuteriomethyl)-1,10-phenanthroline has a molecular weight of 400.50 g/mol, XLogP of 6.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-quinolin-2-ylphenyl)-9-(trideuteriomethyl)-1,10-phenanthroline is sourced from PubChem (CID 171732086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).