4,7-diphenyl-2-pyridin-4-yl-4,7-dihydroisoindole-1,3-diol

C25H20N2O2 — CID 91897617

IUPAC4,7-diphenyl-2-pyridin-4-yl-4,7-dihydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1-c1ccncc1)C(c1ccccc1)C=CC2c1ccccc1
InChIInChI=1S/C25H20N2O2/c28-24-22-20(17-7-3-1-4-8-17)11-12-21(18-9-5-2-6-10-18)23(22)25(29)27(24)19-13-15-26-16-14-19/h1-16,20-21,28-29H
InChIKeyWHNBGAWJGOWPGG-UHFFFAOYSA-N
MW380.45 g/mol
LogP5.12
Rot. Bonds3

About 4,7-diphenyl-2-pyridin-4-yl-4,7-dihydroisoindole-1,3-diol

4,7-diphenyl-2-pyridin-4-yl-4,7-dihydroisoindole-1,3-diol (PubChem CID 91897617) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4,7-diphenyl-2-pyridin-4-yl-4,7-dihydroisoindole-1,3-diol.

Molecular Properties

Compound Name4,7-diphenyl-2-pyridin-4-yl-4,7-dihydroisoindole-1,3-diol
PubChem CID91897617
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name4,7-diphenyl-2-pyridin-4-yl-4,7-dihydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1-c1ccncc1)C(c1ccccc1)C=CC2c1ccccc1
InChIInChI=1S/C25H20N2O2/c28-24-22-20(17-7-3-1-4-8-17)11-12-21(18-9-5-2-6-10-18)23(22)25(29)27(24)19-13-15-26-16-14-19/h1-16,20-21,28-29H
InChIKeyWHNBGAWJGOWPGG-UHFFFAOYSA-N
XLogP5.12
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-diphenyl-2-pyridin-4-yl-4,7-dihydroisoindole-1,3-diol?
The IUPAC name of 4,7-diphenyl-2-pyridin-4-yl-4,7-dihydroisoindole-1,3-diol (CID 91897617) is 4,7-diphenyl-2-pyridin-4-yl-4,7-dihydroisoindole-1,3-diol.
What is the SMILES notation for 4,7-diphenyl-2-pyridin-4-yl-4,7-dihydroisoindole-1,3-diol?
The canonical SMILES for 4,7-diphenyl-2-pyridin-4-yl-4,7-dihydroisoindole-1,3-diol is Oc1c2c(c(O)n1-c1ccncc1)C(c1ccccc1)C=CC2c1ccccc1.
What is the InChIKey of 4,7-diphenyl-2-pyridin-4-yl-4,7-dihydroisoindole-1,3-diol?
The InChIKey is WHNBGAWJGOWPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2/c28-24-22-20(17-7-3-1-4-8-17)11-12-21(18-9-5-2-6-10-18)23(22)25(29)27(24)19-13-15-26-16-14-19/h1-16,20-21,28-29H.
What are the key properties of 4,7-diphenyl-2-pyridin-4-yl-4,7-dihydroisoindole-1,3-diol?
4,7-diphenyl-2-pyridin-4-yl-4,7-dihydroisoindole-1,3-diol has a molecular weight of 380.45 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diphenyl-2-pyridin-4-yl-4,7-dihydroisoindole-1,3-diol is sourced from PubChem (CID 91897617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).