4,6-diphenyl-2-[3-(2-phenylphenyl)-2-triphenylen-1-ylphenyl]pyrimidine

C52H34N2 — CID 166134538

IUPAC4,6-diphenyl-2-[3-(2-phenylphenyl)-2-triphenylen-1-ylphenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccccc4-c4ccccc4)c3-c3cccc4c5ccccc5c5ccccc5c34)n2)cc1
InChIInChI=1S/C52H34N2/c1-4-18-35(19-5-1)38-24-10-11-25-39(38)44-31-17-33-47(52-53-48(36-20-6-2-7-21-36)34-49(54-52)37-22-8-3-9-23-37)51(44)46-32-16-30-45-42-27-13-12-26-40(42)41-28-14-15-29-43(41)50(45)46/h1-34H
InChIKeyNROHXPSFDXEGIS-UHFFFAOYSA-N
MW686.86 g/mol
LogP13.94
Rot. Bonds6

About 4,6-diphenyl-2-[3-(2-phenylphenyl)-2-triphenylen-1-ylphenyl]pyrimidine

4,6-diphenyl-2-[3-(2-phenylphenyl)-2-triphenylen-1-ylphenyl]pyrimidine (PubChem CID 166134538) has the molecular formula C52H34N2 and a molecular weight of 686.86 g/mol. Its IUPAC name is 4,6-diphenyl-2-[3-(2-phenylphenyl)-2-triphenylen-1-ylphenyl]pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[3-(2-phenylphenyl)-2-triphenylen-1-ylphenyl]pyrimidine
PubChem CID166134538
Molecular FormulaC52H34N2
Molecular Weight686.86 g/mol
Exact Mass686.27
IUPAC Name4,6-diphenyl-2-[3-(2-phenylphenyl)-2-triphenylen-1-ylphenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccccc4-c4ccccc4)c3-c3cccc4c5ccccc5c5ccccc5c34)n2)cc1
InChIInChI=1S/C52H34N2/c1-4-18-35(19-5-1)38-24-10-11-25-39(38)44-31-17-33-47(52-53-48(36-20-6-2-7-21-36)34-49(54-52)37-22-8-3-9-23-37)51(44)46-32-16-30-45-42-27-13-12-26-40(42)41-28-14-15-29-43(41)50(45)46/h1-34H
InChIKeyNROHXPSFDXEGIS-UHFFFAOYSA-N
XLogP13.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,6-diphenyl-2-[3-(2-phenylphenyl)-2-triphenylen-1-ylphenyl]pyrimidine 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-(3,5-diphenylphenyl)phenyl]triphenylen-1-yl]-4,6-diphenylpyrimidine
CID 165375591
4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine
CID 59779601
2-[3-[2-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 167216324
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170003344
4-(3,5-diphenylphenyl)-2-fluoranthen-3-yl-6-phenylpyrimidine
CID 130355522
4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 170003546
2-phenyl-4-(2-phenylphenyl)-6-[4-[2-[2-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 167202425
2-[2-[3-(4-dibenzofuran-1-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 174268136
2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine
CID 158882806
4,6-diphenyl-2-[2-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine
CID 122647992
2-dibenzothiophen-1-yl-4,6-diphenylpyrimidine
CID 134199317
4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 170003223

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[3-(2-phenylphenyl)-2-triphenylen-1-ylphenyl]pyrimidine?
The IUPAC name of 4,6-diphenyl-2-[3-(2-phenylphenyl)-2-triphenylen-1-ylphenyl]pyrimidine (CID 166134538) is 4,6-diphenyl-2-[3-(2-phenylphenyl)-2-triphenylen-1-ylphenyl]pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[3-(2-phenylphenyl)-2-triphenylen-1-ylphenyl]pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[3-(2-phenylphenyl)-2-triphenylen-1-ylphenyl]pyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4ccccc4-c4ccccc4)c3-c3cccc4c5ccccc5c5ccccc5c34)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[3-(2-phenylphenyl)-2-triphenylen-1-ylphenyl]pyrimidine?
The InChIKey is NROHXPSFDXEGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-4-18-35(19-5-1)38-24-10-11-25-39(38)44-31-17-33-47(52-53-48(36-20-6-2-7-21-36)34-49(54-52)37-22-8-3-9-23-37)51(44)46-32-16-30-45-42-27-13-12-26-40(42)41-28-14-15-29-43(41)50(45)46/h1-34H.
What are the key properties of 4,6-diphenyl-2-[3-(2-phenylphenyl)-2-triphenylen-1-ylphenyl]pyrimidine?
4,6-diphenyl-2-[3-(2-phenylphenyl)-2-triphenylen-1-ylphenyl]pyrimidine has a molecular weight of 686.86 g/mol, XLogP of 13.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[3-(2-phenylphenyl)-2-triphenylen-1-ylphenyl]pyrimidine is sourced from PubChem (CID 166134538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).