2-(5-triphenylen-2-ylpyrimidin-2-yl)-1,10-phenanthroline

C34H20N4 — CID 129172574

IUPAC2-(5-triphenylen-2-ylpyrimidin-2-yl)-1,10-phenanthroline
SMILESc1cnc2c(c1)ccc1ccc(-c3ncc(-c4ccc5c6ccccc6c6ccccc6c5c4)cn3)nc12
InChIInChI=1S/C34H20N4/c1-2-9-27-25(7-1)26-8-3-4-10-28(26)30-18-23(13-15-29(27)30)24-19-36-34(37-20-24)31-16-14-22-12-11-21-6-5-17-35-32(21)33(22)38-31/h1-20H
InChIKeyAJEXWFRRQAGTKO-UHFFFAOYSA-N
MW484.56 g/mol
LogP8.37
Rot. Bonds2

About 2-(5-triphenylen-2-ylpyrimidin-2-yl)-1,10-phenanthroline

2-(5-triphenylen-2-ylpyrimidin-2-yl)-1,10-phenanthroline (PubChem CID 129172574) has the molecular formula C34H20N4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 2-(5-triphenylen-2-ylpyrimidin-2-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(5-triphenylen-2-ylpyrimidin-2-yl)-1,10-phenanthroline
PubChem CID129172574
Molecular FormulaC34H20N4
Molecular Weight484.56 g/mol
Exact Mass484.17
IUPAC Name2-(5-triphenylen-2-ylpyrimidin-2-yl)-1,10-phenanthroline
SMILESc1cnc2c(c1)ccc1ccc(-c3ncc(-c4ccc5c6ccccc6c6ccccc6c5c4)cn3)nc12
InChIInChI=1S/C34H20N4/c1-2-9-27-25(7-1)26-8-3-4-10-28(26)30-18-23(13-15-29(27)30)24-19-36-34(37-20-24)31-16-14-22-12-11-21-6-5-17-35-32(21)33(22)38-31/h1-20H
InChIKeyAJEXWFRRQAGTKO-UHFFFAOYSA-N
XLogP8.37
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-triphenylen-2-ylpyrimidin-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-[4-[7-(2-triphenylen-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780738
10-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[f][1,10]phenanthroline
CID 121368463
2-[4-(2-phenyl-6-triphenylen-2-ylpyrimidin-4-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 168823379
2-(3-pyrimidin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167637
2-[7-(1,10-phenanthrolin-2-yl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445963
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
CID 121460952
2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline
CID 89023621
7-triphenylen-2-ylbenzo[b][1,10]phenanthroline
CID 139446092
10-triphenylen-2-yl-11H-indeno[1,2-h]quinoline
CID 58489367
2-[3-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-19-yl)phenyl]-1,10-phenanthroline
CID 121368462
2-(4-pyridin-2-ylphenyl)-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167600
2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167567

Frequently Asked Questions

What is the IUPAC name of 2-(5-triphenylen-2-ylpyrimidin-2-yl)-1,10-phenanthroline?
The IUPAC name of 2-(5-triphenylen-2-ylpyrimidin-2-yl)-1,10-phenanthroline (CID 129172574) is 2-(5-triphenylen-2-ylpyrimidin-2-yl)-1,10-phenanthroline.
What is the SMILES notation for 2-(5-triphenylen-2-ylpyrimidin-2-yl)-1,10-phenanthroline?
The canonical SMILES for 2-(5-triphenylen-2-ylpyrimidin-2-yl)-1,10-phenanthroline is c1cnc2c(c1)ccc1ccc(-c3ncc(-c4ccc5c6ccccc6c6ccccc6c5c4)cn3)nc12.
What is the InChIKey of 2-(5-triphenylen-2-ylpyrimidin-2-yl)-1,10-phenanthroline?
The InChIKey is AJEXWFRRQAGTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N4/c1-2-9-27-25(7-1)26-8-3-4-10-28(26)30-18-23(13-15-29(27)30)24-19-36-34(37-20-24)31-16-14-22-12-11-21-6-5-17-35-32(21)33(22)38-31/h1-20H.
What are the key properties of 2-(5-triphenylen-2-ylpyrimidin-2-yl)-1,10-phenanthroline?
2-(5-triphenylen-2-ylpyrimidin-2-yl)-1,10-phenanthroline has a molecular weight of 484.56 g/mol, XLogP of 8.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-triphenylen-2-ylpyrimidin-2-yl)-1,10-phenanthroline is sourced from PubChem (CID 129172574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).