acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene

C28H22O3 — CID 162313144

IUPACacetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene
SMILESCC(=O)O.c1ccc2c(c1)Cc1c(Oc3cccc4c3Cc3ccccc3-4)cccc1-2
InChIInChI=1S/C26H18O.C2H4O2/c1-3-9-19-17(7-1)15-23-21(19)11-5-13-25(23)27-26-14-6-12-22-20-10-4-2-8-18(20)16-24(22)26;1-2(3)4/h1-14H,15-16H2;1H3,(H,3,4)
InChIKeySMELQKZGUQKDNE-UHFFFAOYSA-N
MW406.48 g/mol
LogP6.71
Rot. Bonds2

About acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene

acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene (PubChem CID 162313144) has the molecular formula C28H22O3 and a molecular weight of 406.48 g/mol. Its IUPAC name is acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene.

Molecular Properties

Compound Nameacetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene
PubChem CID162313144
Molecular FormulaC28H22O3
Molecular Weight406.48 g/mol
Exact Mass406.16
IUPAC Nameacetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene
SMILESCC(=O)O.c1ccc2c(c1)Cc1c(Oc3cccc4c3Cc3ccccc3-4)cccc1-2
InChIInChI=1S/C26H18O.C2H4O2/c1-3-9-19-17(7-1)15-23-21(19)11-5-13-25(23)27-26-14-6-12-22-20-10-4-2-8-18(20)16-24(22)26;1-2(3)4/h1-14H,15-16H2;1H3,(H,3,4)
InChIKeySMELQKZGUQKDNE-UHFFFAOYSA-N
XLogP6.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-1-yl carbonochloridate
CID 57317054
acetic acid;azane;9H-fluorene
CID 174966259
bis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate
CID 101363551
9H-fluoren-1-yl acetate;propane-1,2-diol
CID 159192832
9H-fluoren-1-yloxy-hydroxy-oxophosphanium
CID 172827585
9H-fluoren-1-yl 4-hydroxybenzoate
CID 153455636
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
4-O-(9H-fluoren-1-yl) 1-O-methyl 2-aminobutanedioate
CID 91582419
9H-fluoren-1-yl 2,3,3-tris(9H-fluoren-1-yl)prop-2-enoate
CID 150920620
2-(9H-fluoren-1-yloxy)acetaldehyde
CID 87173259
9H-fluorene;methyl acetate
CID 143080534
[2-(9H-fluoren-1-yl)phenoxy]boronic acid
CID 69456186

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene?
The IUPAC name of acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene (CID 162313144) is acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene.
What is the SMILES notation for acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene?
The canonical SMILES for acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene is CC(=O)O.c1ccc2c(c1)Cc1c(Oc3cccc4c3Cc3ccccc3-4)cccc1-2.
What is the InChIKey of acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene?
The InChIKey is SMELQKZGUQKDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O.C2H4O2/c1-3-9-19-17(7-1)15-23-21(19)11-5-13-25(23)27-26-14-6-12-22-20-10-4-2-8-18(20)16-24(22)26;1-2(3)4/h1-14H,15-16H2;1H3,(H,3,4).
What are the key properties of acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene?
acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene has a molecular weight of 406.48 g/mol, XLogP of 6.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene is sourced from PubChem (CID 162313144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).