2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate

C34H30O4 — CID 160987584

IUPAC2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate
SMILESO=C(CCc1cccc2c1Cc1ccccc1-2)OCCOC(=O)CCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C34H30O4/c35-33(17-15-23-9-5-13-29-27-11-3-1-7-25(27)21-31(23)29)37-19-20-38-34(36)18-16-24-10-6-14-30-28-12-4-2-8-26(28)22-32(24)30/h1-14H,15-22H2
InChIKeyTUEIXSISLJFZOE-UHFFFAOYSA-N
MW502.61 g/mol
LogP6.48
Rot. Bonds9

About 2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate

2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate (PubChem CID 160987584) has the molecular formula C34H30O4 and a molecular weight of 502.61 g/mol. Its IUPAC name is 2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate.

Molecular Properties

Compound Name2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate
PubChem CID160987584
Molecular FormulaC34H30O4
Molecular Weight502.61 g/mol
Exact Mass502.21
IUPAC Name2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate
SMILESO=C(CCc1cccc2c1Cc1ccccc1-2)OCCOC(=O)CCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C34H30O4/c35-33(17-15-23-9-5-13-29-27-11-3-1-7-25(27)21-31(23)29)37-19-20-38-34(36)18-16-24-10-6-14-30-28-12-4-2-8-26(28)22-32(24)30/h1-14H,15-22H2
InChIKeyTUEIXSISLJFZOE-UHFFFAOYSA-N
XLogP6.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.61
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate 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

2-(9H-fluoren-1-yl)acetamide
CID 22939017
13-(9H-fluoren-1-yl)tridecanoic acid
CID 175383257
9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
ethane;1-ethyl-9H-fluorene;propane
CID 167686584
9H-fluoren-1-ylmethyl nitrate
CID 174713486
S-ethyl 2-(9H-fluoren-1-yl)ethanethioate
CID 172829129
9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate
CID 70186299
5-(9H-fluoren-1-yl)pentane-1-thiol
CID 141354890
9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate
CID 152662857
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
bis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate
CID 101363551

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate?
The IUPAC name of 2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate (CID 160987584) is 2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate.
What is the SMILES notation for 2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate?
The canonical SMILES for 2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate is O=C(CCc1cccc2c1Cc1ccccc1-2)OCCOC(=O)CCc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate?
The InChIKey is TUEIXSISLJFZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30O4/c35-33(17-15-23-9-5-13-29-27-11-3-1-7-25(27)21-31(23)29)37-19-20-38-34(36)18-16-24-10-6-14-30-28-12-4-2-8-26(28)22-32(24)30/h1-14H,15-22H2.
What are the key properties of 2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate?
2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate has a molecular weight of 502.61 g/mol, XLogP of 6.48, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate is sourced from PubChem (CID 160987584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).