1-[4-(2H-isoindol-1-yl)phenyl]-2H-isoindole

C22H16N2 — CID 57226525

IUPAC1-[4-(2H-isoindol-1-yl)phenyl]-2H-isoindole
SMILESc1ccc2c(-c3ccc(-c4[nH]cc5ccccc45)cc3)[nH]cc2c1
InChIInChI=1S/C22H16N2/c1-3-7-19-17(5-1)13-23-21(19)15-9-11-16(12-10-15)22-20-8-4-2-6-18(20)14-24-22/h1-14,23-24H
InChIKeyYSHCEYBUQWFJRR-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.98
Rot. Bonds2

About 1-[4-(2H-isoindol-1-yl)phenyl]-2H-isoindole

1-[4-(2H-isoindol-1-yl)phenyl]-2H-isoindole (PubChem CID 57226525) has the molecular formula C22H16N2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[4-(2H-isoindol-1-yl)phenyl]-2H-isoindole.

Molecular Properties

Compound Name1-[4-(2H-isoindol-1-yl)phenyl]-2H-isoindole
PubChem CID57226525
Molecular FormulaC22H16N2
Molecular Weight308.38 g/mol
Exact Mass308.13
IUPAC Name1-[4-(2H-isoindol-1-yl)phenyl]-2H-isoindole
SMILESc1ccc2c(-c3ccc(-c4[nH]cc5ccccc45)cc3)[nH]cc2c1
InChIInChI=1S/C22H16N2/c1-3-7-19-17(5-1)13-23-21(19)15-9-11-16(12-10-15)22-20-8-4-2-6-18(20)14-24-22/h1-14,23-24H
InChIKeyYSHCEYBUQWFJRR-UHFFFAOYSA-N
XLogP5.98
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2H-isoindol-1-yl)-1,3-thiazole
CID 142631117
CID 175029736
CID 175029736
1-phenyl-7-(trifluoromethyl)-2H-isoindole
CID 150565953
1-ethynyl-2H-isoindole
CID 173155930
1-(3-methylbutan-2-yl)-2H-isoindole
CID 138726843
ethane;4-methyl-2H-isoquinolin-3-one
CID 144872721
1-cyclobutyl-2H-isoindole
CID 91199421
1-methyl-2H-isoindole;quinoline
CID 158130411
3-oxo-2H-isoquinoline-4-carbonitrile
CID 89302996
(3-oxo-2H-isoquinolin-4-yl)boronic acid
CID 162391463
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
3H-benzo[e]indol-1-ol
CID 69001321

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2H-isoindol-1-yl)phenyl]-2H-isoindole?
The IUPAC name of 1-[4-(2H-isoindol-1-yl)phenyl]-2H-isoindole (CID 57226525) is 1-[4-(2H-isoindol-1-yl)phenyl]-2H-isoindole.
What is the SMILES notation for 1-[4-(2H-isoindol-1-yl)phenyl]-2H-isoindole?
The canonical SMILES for 1-[4-(2H-isoindol-1-yl)phenyl]-2H-isoindole is c1ccc2c(-c3ccc(-c4[nH]cc5ccccc45)cc3)[nH]cc2c1.
What is the InChIKey of 1-[4-(2H-isoindol-1-yl)phenyl]-2H-isoindole?
The InChIKey is YSHCEYBUQWFJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2/c1-3-7-19-17(5-1)13-23-21(19)15-9-11-16(12-10-15)22-20-8-4-2-6-18(20)14-24-22/h1-14,23-24H.
What are the key properties of 1-[4-(2H-isoindol-1-yl)phenyl]-2H-isoindole?
1-[4-(2H-isoindol-1-yl)phenyl]-2H-isoindole has a molecular weight of 308.38 g/mol, XLogP of 5.98, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2H-isoindol-1-yl)phenyl]-2H-isoindole is sourced from PubChem (CID 57226525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).