1-[2-[2-(4-phenylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole

C28H23N — CID 70302088

IUPAC1-[2-[2-(4-phenylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole
SMILESC(=Cc1ccccc1C1NCc2ccccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H23N/c1-2-8-22(9-3-1)23-17-14-21(15-18-23)16-19-24-10-4-6-12-26(24)28-27-13-7-5-11-25(27)20-29-28/h1-19,28-29H,20H2
InChIKeyZAYYHHKAGVKUQC-UHFFFAOYSA-N
MW373.50 g/mol
LogP6.72
Rot. Bonds4

About 1-[2-[2-(4-phenylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole

1-[2-[2-(4-phenylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole (PubChem CID 70302088) has the molecular formula C28H23N and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[2-[2-(4-phenylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-[2-[2-(4-phenylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole
PubChem CID70302088
Molecular FormulaC28H23N
Molecular Weight373.50 g/mol
Exact Mass373.18
IUPAC Name1-[2-[2-(4-phenylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole
SMILESC(=Cc1ccccc1C1NCc2ccccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H23N/c1-2-8-22(9-3-1)23-17-14-21(15-18-23)16-19-24-10-4-6-12-26(24)28-27-13-7-5-11-25(27)20-29-28/h1-19,28-29H,20H2
InChIKeyZAYYHHKAGVKUQC-UHFFFAOYSA-N
XLogP6.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 56.72
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 1-[2-[2-(4-phenylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-[2-[2-(4-phenylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole (CID 70302088) is 1-[2-[2-(4-phenylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-[2-[2-(4-phenylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-[2-[2-(4-phenylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole is C(=Cc1ccccc1C1NCc2ccccc21)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[2-[2-(4-phenylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole?
The InChIKey is ZAYYHHKAGVKUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N/c1-2-8-22(9-3-1)23-17-14-21(15-18-23)16-19-24-10-4-6-12-26(24)28-27-13-7-5-11-25(27)20-29-28/h1-19,28-29H,20H2.
What are the key properties of 1-[2-[2-(4-phenylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole?
1-[2-[2-(4-phenylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole has a molecular weight of 373.50 g/mol, XLogP of 6.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-phenylphenyl)ethenyl]phenyl]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 70302088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).