6-[(E)-2-[5-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole

C27H21N3 — CID 89095578

IUPAC6-[(E)-2-[5-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole
SMILESC(=C/c1cc(/C=C/c2ccc3cc[nH]c3c2)n[nH]1)\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H21N3/c1-2-4-22(5-3-1)23-11-6-20(7-12-23)9-14-25-19-26(30-29-25)15-10-21-8-13-24-16-17-28-27(24)18-21/h1-19,28H,(H,29,30)/b14-9+,15-10+
InChIKeyIMYKWESXJINIJJ-AOEKMSOUSA-N
MW387.49 g/mol
LogP6.90
Rot. Bonds5

About 6-[(E)-2-[5-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole

6-[(E)-2-[5-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole (PubChem CID 89095578) has the molecular formula C27H21N3 and a molecular weight of 387.49 g/mol. Its IUPAC name is 6-[(E)-2-[5-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole.

Molecular Properties

Compound Name6-[(E)-2-[5-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole
PubChem CID89095578
Molecular FormulaC27H21N3
Molecular Weight387.49 g/mol
Exact Mass387.17
IUPAC Name6-[(E)-2-[5-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole
SMILESC(=C/c1cc(/C=C/c2ccc3cc[nH]c3c2)n[nH]1)\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H21N3/c1-2-4-22(5-3-1)23-11-6-20(7-12-23)9-14-25-19-26(30-29-25)15-10-21-8-13-24-16-17-28-27(24)18-21/h1-19,28H,(H,29,30)/b14-9+,15-10+
InChIKeyIMYKWESXJINIJJ-AOEKMSOUSA-N
XLogP6.90
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-[5-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole?
The IUPAC name of 6-[(E)-2-[5-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole (CID 89095578) is 6-[(E)-2-[5-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole.
What is the SMILES notation for 6-[(E)-2-[5-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole?
The canonical SMILES for 6-[(E)-2-[5-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole is C(=C/c1cc(/C=C/c2ccc3cc[nH]c3c2)n[nH]1)\c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6-[(E)-2-[5-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole?
The InChIKey is IMYKWESXJINIJJ-AOEKMSOUSA-N. The full InChI is InChI=1S/C27H21N3/c1-2-4-22(5-3-1)23-11-6-20(7-12-23)9-14-25-19-26(30-29-25)15-10-21-8-13-24-16-17-28-27(24)18-21/h1-19,28H,(H,29,30)/b14-9+,15-10+.
What are the key properties of 6-[(E)-2-[5-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole?
6-[(E)-2-[5-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole has a molecular weight of 387.49 g/mol, XLogP of 6.90, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-[5-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole is sourced from PubChem (CID 89095578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).