3-(3,6-diphenyl-9H-fluoren-1-yl)propanoic acid

C28H22O2 — CID 155213141

IUPAC3-(3,6-diphenyl-9H-fluoren-1-yl)propanoic acid
SMILESO=C(O)CCc1cc(-c2ccccc2)cc2c1Cc1ccc(-c3ccccc3)cc1-2
InChIInChI=1S/C28H22O2/c29-28(30)14-13-22-15-24(20-9-5-2-6-10-20)18-27-25-16-21(19-7-3-1-4-8-19)11-12-23(25)17-26(22)27/h1-12,15-16,18H,13-14,17H2,(H,29,30)
InChIKeyYIMRMWDWURFTFO-UHFFFAOYSA-N
MW390.48 g/mol
LogP6.61
Rot. Bonds5

About 3-(3,6-diphenyl-9H-fluoren-1-yl)propanoic acid

3-(3,6-diphenyl-9H-fluoren-1-yl)propanoic acid (PubChem CID 155213141) has the molecular formula C28H22O2 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-(3,6-diphenyl-9H-fluoren-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(3,6-diphenyl-9H-fluoren-1-yl)propanoic acid
PubChem CID155213141
Molecular FormulaC28H22O2
Molecular Weight390.48 g/mol
Exact Mass390.16
IUPAC Name3-(3,6-diphenyl-9H-fluoren-1-yl)propanoic acid
SMILESO=C(O)CCc1cc(-c2ccccc2)cc2c1Cc1ccc(-c3ccccc3)cc1-2
InChIInChI=1S/C28H22O2/c29-28(30)14-13-22-15-24(20-9-5-2-6-10-20)18-27-25-16-21(19-7-3-1-4-8-19)11-12-23(25)17-26(22)27/h1-12,15-16,18H,13-14,17H2,(H,29,30)
InChIKeyYIMRMWDWURFTFO-UHFFFAOYSA-N
XLogP6.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-diphenyl-9H-fluoren-1-yl)propanoic acid?
The IUPAC name of 3-(3,6-diphenyl-9H-fluoren-1-yl)propanoic acid (CID 155213141) is 3-(3,6-diphenyl-9H-fluoren-1-yl)propanoic acid.
What is the SMILES notation for 3-(3,6-diphenyl-9H-fluoren-1-yl)propanoic acid?
The canonical SMILES for 3-(3,6-diphenyl-9H-fluoren-1-yl)propanoic acid is O=C(O)CCc1cc(-c2ccccc2)cc2c1Cc1ccc(-c3ccccc3)cc1-2.
What is the InChIKey of 3-(3,6-diphenyl-9H-fluoren-1-yl)propanoic acid?
The InChIKey is YIMRMWDWURFTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O2/c29-28(30)14-13-22-15-24(20-9-5-2-6-10-20)18-27-25-16-21(19-7-3-1-4-8-19)11-12-23(25)17-26(22)27/h1-12,15-16,18H,13-14,17H2,(H,29,30).
What are the key properties of 3-(3,6-diphenyl-9H-fluoren-1-yl)propanoic acid?
3-(3,6-diphenyl-9H-fluoren-1-yl)propanoic acid has a molecular weight of 390.48 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-diphenyl-9H-fluoren-1-yl)propanoic acid is sourced from PubChem (CID 155213141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).