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

C39H25N3 — CID 118014055

IUPAC2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C39H25N3/c1-3-12-26(13-4-1)37-40-38(27-14-5-2-6-15-27)42-39(41-37)30-17-11-16-28(24-30)29-22-23-35-33-20-8-7-18-31(33)32-19-9-10-21-34(32)36(35)25-29/h1-25H
InChIKeyHLMPIMGZNXAZMC-UHFFFAOYSA-N
MW535.65 g/mol
LogP10.00
Rot. Bonds4

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

2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine (PubChem CID 118014055) has the molecular formula C39H25N3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
PubChem CID118014055
Molecular FormulaC39H25N3
Molecular Weight535.65 g/mol
Exact Mass535.20
IUPAC Name2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C39H25N3/c1-3-12-26(13-4-1)37-40-38(27-14-5-2-6-15-27)42-39(41-37)30-17-11-16-28(24-30)29-22-23-35-33-20-8-7-18-31(33)32-19-9-10-21-34(32)36(35)25-29/h1-25H
InChIKeyHLMPIMGZNXAZMC-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'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine (CID 118014055) is 2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine?
The InChIKey is HLMPIMGZNXAZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3/c1-3-12-26(13-4-1)37-40-38(27-14-5-2-6-15-27)42-39(41-37)30-17-11-16-28(24-30)29-22-23-35-33-20-8-7-18-31(33)32-19-9-10-21-34(32)36(35)25-29/h1-25H.
What are the key properties of 2,4-diphenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine?
2,4-diphenyl-6-(3-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-(3-triphenylen-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 118014055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).