3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one

C26H19NO3 — CID 2832097

IUPAC3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one
SMILESO=C1c2ccccc2C(c2ccc(O)cc2)(c2ccc(O)cc2)N1c1ccccc1
InChIInChI=1S/C26H19NO3/c28-21-14-10-18(11-15-21)26(19-12-16-22(29)17-13-19)24-9-5-4-8-23(24)25(30)27(26)20-6-2-1-3-7-20/h1-17,28-29H
InChIKeyYBLBHSSRHHJKEK-UHFFFAOYSA-N
MW393.44 g/mol
LogP5.05
Rot. Bonds3

About 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one

3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one (PubChem CID 2832097) has the molecular formula C26H19NO3 and a molecular weight of 393.44 g/mol. Its IUPAC name is 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one.

Molecular Properties

Compound Name3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one
PubChem CID2832097
Molecular FormulaC26H19NO3
Molecular Weight393.44 g/mol
Exact Mass393.14
IUPAC Name3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one
SMILESO=C1c2ccccc2C(c2ccc(O)cc2)(c2ccc(O)cc2)N1c1ccccc1
InChIInChI=1S/C26H19NO3/c28-21-14-10-18(11-15-21)26(19-12-16-22(29)17-13-19)24-9-5-4-8-23(24)25(30)27(26)20-6-2-1-3-7-20/h1-17,28-29H
InChIKeyYBLBHSSRHHJKEK-UHFFFAOYSA-N
XLogP5.05
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one?
The IUPAC name of 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one (CID 2832097) is 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one.
What is the SMILES notation for 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one?
The canonical SMILES for 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one is O=C1c2ccccc2C(c2ccc(O)cc2)(c2ccc(O)cc2)N1c1ccccc1.
What is the InChIKey of 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one?
The InChIKey is YBLBHSSRHHJKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO3/c28-21-14-10-18(11-15-21)26(19-12-16-22(29)17-13-19)24-9-5-4-8-23(24)25(30)27(26)20-6-2-1-3-7-20/h1-17,28-29H.
What are the key properties of 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one?
3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one has a molecular weight of 393.44 g/mol, XLogP of 5.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one is sourced from PubChem (CID 2832097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).