2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine

C39H25N3 — CID 118231237

IUPAC2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1
InChIInChI=1S/C39H25N3/c1-3-11-27(12-4-1)37-40-38(28-13-5-2-6-14-28)42-39(41-37)29-21-19-26(20-22-29)30-23-24-35-33-17-8-7-15-31(33)32-16-9-10-18-34(32)36(35)25-30/h1-25H
InChIKeyPNZKEOCFVOHJHA-UHFFFAOYSA-N
MW535.65 g/mol
LogP10.00
Rot. Bonds4

About 2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine

2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine (PubChem CID 118231237) has the molecular formula C39H25N3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
PubChem CID118231237
Molecular FormulaC39H25N3
Molecular Weight535.65 g/mol
Exact Mass535.20
IUPAC Name2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1
InChIInChI=1S/C39H25N3/c1-3-11-27(12-4-1)37-40-38(28-13-5-2-6-14-28)42-39(41-37)29-21-19-26(20-22-29)30-23-24-35-33-17-8-7-15-31(33)32-16-9-10-18-34(32)36(35)25-30/h1-25H
InChIKeyPNZKEOCFVOHJHA-UHFFFAOYSA-N
XLogP10.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine 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-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 139521301
2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 155380136
2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150891
2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545362
2-phenyl-4-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 118583036
2,4-diphenyl-6-[4-(7-triphenylen-2-yldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 148954728
2,4-bis(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;4,6-bis(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;2,4-bis(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 158543149
2-[4-(5-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 167410396
2,4-diphenyl-6-[3-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 129099661
2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545355
2-phenyl-4-(3-phenylphenyl)-6-[2-(3-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 137389686
2-phenyl-4-(4-pyridin-2-ylphenyl)-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 130265192

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine (CID 118231237) is 2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine?
The InChIKey is PNZKEOCFVOHJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3/c1-3-11-27(12-4-1)37-40-38(28-13-5-2-6-14-28)42-39(41-37)29-21-19-26(20-22-29)30-23-24-35-33-17-8-7-15-31(33)32-16-9-10-18-34(32)36(35)25-30/h1-25H.
What are the key properties of 2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine?
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine has a molecular weight of 535.65 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 118231237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).