2-[2-(2-phenylethenyl)-6-(triazol-2-yl)phenyl]triazole

C18H14N6 — CID 66643487

IUPAC2-[2-(2-phenylethenyl)-6-(triazol-2-yl)phenyl]triazole
SMILESC(=Cc1cccc(-n2nccn2)c1-n1nccn1)c1ccccc1
InChIInChI=1S/C18H14N6/c1-2-5-15(6-3-1)9-10-16-7-4-8-17(23-19-11-12-20-23)18(16)24-21-13-14-22-24/h1-14H
InChIKeySVUWMKALNOODNX-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.02
Rot. Bonds4

About 2-[2-(2-phenylethenyl)-6-(triazol-2-yl)phenyl]triazole

2-[2-(2-phenylethenyl)-6-(triazol-2-yl)phenyl]triazole (PubChem CID 66643487) has the molecular formula C18H14N6 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-[2-(2-phenylethenyl)-6-(triazol-2-yl)phenyl]triazole.

Molecular Properties

Compound Name2-[2-(2-phenylethenyl)-6-(triazol-2-yl)phenyl]triazole
PubChem CID66643487
Molecular FormulaC18H14N6
Molecular Weight314.35 g/mol
Exact Mass314.13
IUPAC Name2-[2-(2-phenylethenyl)-6-(triazol-2-yl)phenyl]triazole
SMILESC(=Cc1cccc(-n2nccn2)c1-n1nccn1)c1ccccc1
InChIInChI=1S/C18H14N6/c1-2-5-15(6-3-1)9-10-16-7-4-8-17(23-19-11-12-20-23)18(16)24-21-13-14-22-24/h1-14H
InChIKeySVUWMKALNOODNX-UHFFFAOYSA-N
XLogP3.02
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2,6-bis[(E)-2-phenylethenyl]phenyl]pyrazole
CID 68934849
2-[(E)-2-phenylethenyl]phenolate
CID 23105470
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
2,6-bis[2-[(E)-2-phenylethenyl]phenyl]pyridine
CID 102597528
tetrakis[2-[(E)-2-phenylethenyl]phenyl]silane
CID 22630526
2-[2-[2-(2-phenylethenyl)phenyl]ethenyl]pyridine
CID 154926324
1-(2-phenylethenyl)biphenylene
CID 142709250
2-[2-(2-phenylethenyl)phenyl]pyrimidine
CID 141475746
CID 70569152
CID 70569152
CID 70567885
CID 70567885
1-fluoro-2-[(Z)-2-phenylethenyl]benzene
CID 46218050
2-(triazol-2-yl)phenol;hydrochloride
CID 156757667

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylethenyl)-6-(triazol-2-yl)phenyl]triazole?
The IUPAC name of 2-[2-(2-phenylethenyl)-6-(triazol-2-yl)phenyl]triazole (CID 66643487) is 2-[2-(2-phenylethenyl)-6-(triazol-2-yl)phenyl]triazole.
What is the SMILES notation for 2-[2-(2-phenylethenyl)-6-(triazol-2-yl)phenyl]triazole?
The canonical SMILES for 2-[2-(2-phenylethenyl)-6-(triazol-2-yl)phenyl]triazole is C(=Cc1cccc(-n2nccn2)c1-n1nccn1)c1ccccc1.
What is the InChIKey of 2-[2-(2-phenylethenyl)-6-(triazol-2-yl)phenyl]triazole?
The InChIKey is SVUWMKALNOODNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6/c1-2-5-15(6-3-1)9-10-16-7-4-8-17(23-19-11-12-20-23)18(16)24-21-13-14-22-24/h1-14H.
What are the key properties of 2-[2-(2-phenylethenyl)-6-(triazol-2-yl)phenyl]triazole?
2-[2-(2-phenylethenyl)-6-(triazol-2-yl)phenyl]triazole has a molecular weight of 314.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylethenyl)-6-(triazol-2-yl)phenyl]triazole is sourced from PubChem (CID 66643487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).