1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone

C23H18N2O — CID 123456736

IUPAC1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone
SMILESO=C(Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1)c1ccccc1
InChIInChI=1S/C23H18N2O/c26-23(19-9-5-2-6-10-19)16-18-12-14-22-20(15-18)21(24-25-22)13-11-17-7-3-1-4-8-17/h1-15H,16H2,(H,24,25)/b13-11+
InChIKeyBEXSECCZOZHSKO-ACCUITESSA-N
MW338.41 g/mol
LogP5.16
Rot. Bonds5

About 1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone

1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone (PubChem CID 123456736) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone.

Molecular Properties

Compound Name1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone
PubChem CID123456736
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone
SMILESO=C(Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1)c1ccccc1
InChIInChI=1S/C23H18N2O/c26-23(19-9-5-2-6-10-19)16-18-12-14-22-20(15-18)21(24-25-22)13-11-17-7-3-1-4-8-17/h1-15H,16H2,(H,24,25)/b13-11+
InChIKeyBEXSECCZOZHSKO-ACCUITESSA-N
XLogP5.16
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-bis(2-phenylethenyl)-2H-indazole
CID 69468999
ethoxy-[3-(2-phenylethenyl)-2H-indazol-5-yl]phosphinic acid
CID 91355166
2-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-N,N-dimethylethanamine;1-(1H-indol-3-yl)-3-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;3-[(E)-2-phenylethenyl]-1H-indazole;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]hexan-2-one;1-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]propan-2-one;1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone
CID 159680372
2-[4-[3-(4-phenacylphenyl)-1H-pyrazol-5-yl]phenyl]-1-phenylethanone
CID 165084092
[3-(2-phenylethenyl)-1H-pyrazol-5-yl]methanol
CID 54512641
N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide
CID 67451670
2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone
CID 10740738
3-(2-pyridin-2-ylethenyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole
CID 175206002
5-[(3,5-difluorophenyl)methyl]-3-(2-pyridin-2-ylethenyl)-2H-indazole
CID 175367489
5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
CID 156734155
2-[4-(4-hydroxyphenyl)phenyl]-1-phenylethanone
CID 82541267
4-phenacylbenzoyl iodide
CID 142013538

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone?
The IUPAC name of 1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone (CID 123456736) is 1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone.
What is the SMILES notation for 1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone?
The canonical SMILES for 1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone is O=C(Cc1ccc2n[nH]c(/C=C/c3ccccc3)c2c1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone?
The InChIKey is BEXSECCZOZHSKO-ACCUITESSA-N. The full InChI is InChI=1S/C23H18N2O/c26-23(19-9-5-2-6-10-19)16-18-12-14-22-20(15-18)21(24-25-22)13-11-17-7-3-1-4-8-17/h1-15H,16H2,(H,24,25)/b13-11+.
What are the key properties of 1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone?
1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone has a molecular weight of 338.41 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[3-[(E)-2-phenylethenyl]-2H-indazol-5-yl]ethanone is sourced from PubChem (CID 123456736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).