3-(9H-fluoren-1-yl)-3-hydroxy-2-phenylisoindol-1-one

C27H19NO2 — CID 71327705

IUPAC3-(9H-fluoren-1-yl)-3-hydroxy-2-phenylisoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2cccc3c2Cc2ccccc2-3)N1c1ccccc1
InChIInChI=1S/C27H19NO2/c29-26-22-13-6-7-15-24(22)27(30,28(26)19-10-2-1-3-11-19)25-16-8-14-21-20-12-5-4-9-18(20)17-23(21)25/h1-16,30H,17H2
InChIKeyNOLLDPGKNVEWBC-UHFFFAOYSA-N
MW389.45 g/mol
LogP5.11
Rot. Bonds2

About 3-(9H-fluoren-1-yl)-3-hydroxy-2-phenylisoindol-1-one

3-(9H-fluoren-1-yl)-3-hydroxy-2-phenylisoindol-1-one (PubChem CID 71327705) has the molecular formula C27H19NO2 and a molecular weight of 389.45 g/mol. Its IUPAC name is 3-(9H-fluoren-1-yl)-3-hydroxy-2-phenylisoindol-1-one.

Molecular Properties

Compound Name3-(9H-fluoren-1-yl)-3-hydroxy-2-phenylisoindol-1-one
PubChem CID71327705
Molecular FormulaC27H19NO2
Molecular Weight389.45 g/mol
Exact Mass389.14
IUPAC Name3-(9H-fluoren-1-yl)-3-hydroxy-2-phenylisoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2cccc3c2Cc2ccccc2-3)N1c1ccccc1
InChIInChI=1S/C27H19NO2/c29-26-22-13-6-7-15-24(22)27(30,28(26)19-10-2-1-3-11-19)25-16-8-14-21-20-12-5-4-9-18(20)17-23(21)25/h1-16,30H,17H2
InChIKeyNOLLDPGKNVEWBC-UHFFFAOYSA-N
XLogP5.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-1-yl)-3-hydroxy-2-phenylisoindol-1-one?
The IUPAC name of 3-(9H-fluoren-1-yl)-3-hydroxy-2-phenylisoindol-1-one (CID 71327705) is 3-(9H-fluoren-1-yl)-3-hydroxy-2-phenylisoindol-1-one.
What is the SMILES notation for 3-(9H-fluoren-1-yl)-3-hydroxy-2-phenylisoindol-1-one?
The canonical SMILES for 3-(9H-fluoren-1-yl)-3-hydroxy-2-phenylisoindol-1-one is O=C1c2ccccc2C(O)(c2cccc3c2Cc2ccccc2-3)N1c1ccccc1.
What is the InChIKey of 3-(9H-fluoren-1-yl)-3-hydroxy-2-phenylisoindol-1-one?
The InChIKey is NOLLDPGKNVEWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NO2/c29-26-22-13-6-7-15-24(22)27(30,28(26)19-10-2-1-3-11-19)25-16-8-14-21-20-12-5-4-9-18(20)17-23(21)25/h1-16,30H,17H2.
What are the key properties of 3-(9H-fluoren-1-yl)-3-hydroxy-2-phenylisoindol-1-one?
3-(9H-fluoren-1-yl)-3-hydroxy-2-phenylisoindol-1-one has a molecular weight of 389.45 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-1-yl)-3-hydroxy-2-phenylisoindol-1-one is sourced from PubChem (CID 71327705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).