2,4-Bis(4-ethynylphenyl)-6-phenyl-1,3,5-triazine

HCID 20429680

Notes Reactions

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Basic information

CAS: 90995-77-0
Standard SMILES: C#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C#C)cc3)n2)cc1
InChIKey: KZUTULZFXHVSFD-UHFFFAOYSA-N
Molecular formula: C25H15N3
Average molar mass: 357.4 g/mol
Monoisotopic mass: 357.12659748

Names & identifiers

Preferred name: 2,4-Bis(4-ethynylphenyl)-6-phenyl-1,3,5-triazine
IUPAC: 2,4-bis(4-ethynylphenyl)-6-phenyl-1,3,5-triazine

Names & synonyms

90995-77-02,4-Bis(4-ethynylphenyl)-6-phenyl-1,3,5-triazineSCHEMBL10937156DTXSID90606979KZUTULZFXHVSFD-UHFFFAOYSA-N6-phenyl-2,4-bis(4-ethynylphenyl)-s-triazine

Database identifiers

CAS: 90995-77-0
PubChem CID: 20429680
DTXSID: DTXSID90606979

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 28
Formal charge: 0
Complexity: 544

Related reactions

2 records

New reaction record

HRID 325752As productuspto-grants-1984_04

HRID 615250As productuspto-grants-1985_02

Compound notes

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