3,5-bis(2-phenylethenyl)-2H-indazole

C23H18N2 — CID 69468999

IUPAC3,5-bis(2-phenylethenyl)-2H-indazole
SMILESC(=Cc1ccc2n[nH]c(C=Cc3ccccc3)c2c1)c1ccccc1
InChIInChI=1S/C23H18N2/c1-3-7-18(8-4-1)11-12-20-14-16-23-21(17-20)22(24-25-23)15-13-19-9-5-2-6-10-19/h1-17H,(H,24,25)
InChIKeyHNZYXQZTSKVWEB-UHFFFAOYSA-N
MW322.41 g/mol
LogP5.90
Rot. Bonds4

About 3,5-bis(2-phenylethenyl)-2H-indazole

3,5-bis(2-phenylethenyl)-2H-indazole (PubChem CID 69468999) has the molecular formula C23H18N2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3,5-bis(2-phenylethenyl)-2H-indazole.

Molecular Properties

Compound Name3,5-bis(2-phenylethenyl)-2H-indazole
PubChem CID69468999
Molecular FormulaC23H18N2
Molecular Weight322.41 g/mol
Exact Mass322.15
IUPAC Name3,5-bis(2-phenylethenyl)-2H-indazole
SMILESC(=Cc1ccc2n[nH]c(C=Cc3ccccc3)c2c1)c1ccccc1
InChIInChI=1S/C23H18N2/c1-3-7-18(8-4-1)11-12-20-14-16-23-21(17-20)22(24-25-23)15-13-19-9-5-2-6-10-19/h1-17H,(H,24,25)
InChIKeyHNZYXQZTSKVWEB-UHFFFAOYSA-N
XLogP5.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-phenylethenyl)-2H-indazole?
The IUPAC name of 3,5-bis(2-phenylethenyl)-2H-indazole (CID 69468999) is 3,5-bis(2-phenylethenyl)-2H-indazole.
What is the SMILES notation for 3,5-bis(2-phenylethenyl)-2H-indazole?
The canonical SMILES for 3,5-bis(2-phenylethenyl)-2H-indazole is C(=Cc1ccc2n[nH]c(C=Cc3ccccc3)c2c1)c1ccccc1.
What is the InChIKey of 3,5-bis(2-phenylethenyl)-2H-indazole?
The InChIKey is HNZYXQZTSKVWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2/c1-3-7-18(8-4-1)11-12-20-14-16-23-21(17-20)22(24-25-23)15-13-19-9-5-2-6-10-19/h1-17H,(H,24,25).
What are the key properties of 3,5-bis(2-phenylethenyl)-2H-indazole?
3,5-bis(2-phenylethenyl)-2H-indazole has a molecular weight of 322.41 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-phenylethenyl)-2H-indazole is sourced from PubChem (CID 69468999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).