2-[2-[(E)-2-phenylethenyl]phenyl]-1,3,5-triazine

C17H13N3 — CID 19872345

IUPAC2-[2-[(E)-2-phenylethenyl]phenyl]-1,3,5-triazine
SMILESC(=C/c1ccccc1-c1ncncn1)\c1ccccc1
InChIInChI=1S/C17H13N3/c1-2-6-14(7-3-1)10-11-15-8-4-5-9-16(15)17-19-12-18-13-20-17/h1-13H/b11-10+
InChIKeyBASJWYNOYQCSQZ-ZHACJKMWSA-N
MW259.31 g/mol
LogP3.71
Rot. Bonds3

About 2-[2-[(E)-2-phenylethenyl]phenyl]-1,3,5-triazine

2-[2-[(E)-2-phenylethenyl]phenyl]-1,3,5-triazine (PubChem CID 19872345) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[2-[(E)-2-phenylethenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-[(E)-2-phenylethenyl]phenyl]-1,3,5-triazine
PubChem CID19872345
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name2-[2-[(E)-2-phenylethenyl]phenyl]-1,3,5-triazine
SMILESC(=C/c1ccccc1-c1ncncn1)\c1ccccc1
InChIInChI=1S/C17H13N3/c1-2-6-14(7-3-1)10-11-15-8-4-5-9-16(15)17-19-12-18-13-20-17/h1-13H/b11-10+
InChIKeyBASJWYNOYQCSQZ-ZHACJKMWSA-N
XLogP3.71
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
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 2-[2-[(E)-2-phenylethenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-[2-[(E)-2-phenylethenyl]phenyl]-1,3,5-triazine (CID 19872345) is 2-[2-[(E)-2-phenylethenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[2-[(E)-2-phenylethenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[2-[(E)-2-phenylethenyl]phenyl]-1,3,5-triazine is C(=C/c1ccccc1-c1ncncn1)\c1ccccc1.
What is the InChIKey of 2-[2-[(E)-2-phenylethenyl]phenyl]-1,3,5-triazine?
The InChIKey is BASJWYNOYQCSQZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H13N3/c1-2-6-14(7-3-1)10-11-15-8-4-5-9-16(15)17-19-12-18-13-20-17/h1-13H/b11-10+.
What are the key properties of 2-[2-[(E)-2-phenylethenyl]phenyl]-1,3,5-triazine?
2-[2-[(E)-2-phenylethenyl]phenyl]-1,3,5-triazine has a molecular weight of 259.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-phenylethenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 19872345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).