1,4,5,6-tetraphenyl-2H-triazine

C27H21N3 — CID 175884118

IUPAC1,4,5,6-tetraphenyl-2H-triazine
SMILESc1ccc(C2=NNN(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1
InChIInChI=1S/C27H21N3/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28-29-30(24-19-11-4-12-20-24)27(25)23-17-9-3-10-18-23/h1-20,29H
InChIKeyLCSVXSBEZYFXLQ-UHFFFAOYSA-N
MW387.49 g/mol
LogP5.98
Rot. Bonds4

About 1,4,5,6-tetraphenyl-2H-triazine

1,4,5,6-tetraphenyl-2H-triazine (PubChem CID 175884118) has the molecular formula C27H21N3 and a molecular weight of 387.49 g/mol. Its IUPAC name is 1,4,5,6-tetraphenyl-2H-triazine.

Molecular Properties

Compound Name1,4,5,6-tetraphenyl-2H-triazine
PubChem CID175884118
Molecular FormulaC27H21N3
Molecular Weight387.49 g/mol
Exact Mass387.17
IUPAC Name1,4,5,6-tetraphenyl-2H-triazine
SMILESc1ccc(C2=NNN(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1
InChIInChI=1S/C27H21N3/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28-29-30(24-19-11-4-12-20-24)27(25)23-17-9-3-10-18-23/h1-20,29H
InChIKeyLCSVXSBEZYFXLQ-UHFFFAOYSA-N
XLogP5.98
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetraphenyl-2H-triazine?
The IUPAC name of 1,4,5,6-tetraphenyl-2H-triazine (CID 175884118) is 1,4,5,6-tetraphenyl-2H-triazine.
What is the SMILES notation for 1,4,5,6-tetraphenyl-2H-triazine?
The canonical SMILES for 1,4,5,6-tetraphenyl-2H-triazine is c1ccc(C2=NNN(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1.
What is the InChIKey of 1,4,5,6-tetraphenyl-2H-triazine?
The InChIKey is LCSVXSBEZYFXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28-29-30(24-19-11-4-12-20-24)27(25)23-17-9-3-10-18-23/h1-20,29H.
What are the key properties of 1,4,5,6-tetraphenyl-2H-triazine?
1,4,5,6-tetraphenyl-2H-triazine has a molecular weight of 387.49 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetraphenyl-2H-triazine is sourced from PubChem (CID 175884118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).