stilbene;bis(2H-triazole)

C18H18N6 — CID 70597689

IUPACstilbene;bis(2H-triazole)
SMILESC(=Cc1ccccc1)c1ccccc1.c1cn[nH]n1.c1cn[nH]n1
InChIInChI=1S/C14H12.2C2H3N3/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-2-4-5-3-1/h1-12H;2*1-2H,(H,3,4,5)
InChIKeyQMIUKRZVESRIRA-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.47
Rot. Bonds2

About stilbene;bis(2H-triazole)

stilbene;bis(2H-triazole) (PubChem CID 70597689) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is stilbene;bis(2H-triazole).

Molecular Properties

Compound Namestilbene;bis(2H-triazole)
PubChem CID70597689
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Namestilbene;bis(2H-triazole)
SMILESC(=Cc1ccccc1)c1ccccc1.c1cn[nH]n1.c1cn[nH]n1
InChIInChI=1S/C14H12.2C2H3N3/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-2-4-5-3-1/h1-12H;2*1-2H,(H,3,4,5)
InChIKeyQMIUKRZVESRIRA-UHFFFAOYSA-N
XLogP3.47
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of stilbene;bis(2H-triazole)?
The IUPAC name of stilbene;bis(2H-triazole) (CID 70597689) is stilbene;bis(2H-triazole).
What is the SMILES notation for stilbene;bis(2H-triazole)?
The canonical SMILES for stilbene;bis(2H-triazole) is C(=Cc1ccccc1)c1ccccc1.c1cn[nH]n1.c1cn[nH]n1.
What is the InChIKey of stilbene;bis(2H-triazole)?
The InChIKey is QMIUKRZVESRIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.2C2H3N3/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-2-4-5-3-1/h1-12H;2*1-2H,(H,3,4,5).
What are the key properties of stilbene;bis(2H-triazole)?
stilbene;bis(2H-triazole) has a molecular weight of 318.38 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for stilbene;bis(2H-triazole) is sourced from PubChem (CID 70597689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).