ethyl 2-[9-[2-(9-propylfluoren-9-yl)propan-2-yl]fluoren-9-yl]acetate

C36H36O2 — CID 118344197

IUPACethyl 2-[9-[2-(9-propylfluoren-9-yl)propan-2-yl]fluoren-9-yl]acetate
SMILESCCCC1(C(C)(C)C2(CC(=O)OCC)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C36H36O2/c1-5-23-35(29-19-11-7-15-25(29)26-16-8-12-20-30(26)35)34(3,4)36(24-33(37)38-6-2)31-21-13-9-17-27(31)28-18-10-14-22-32(28)36/h7-22H,5-6,23-24H2,1-4H3
InChIKeyZQJODAVOSRASGR-UHFFFAOYSA-N
MW500.68 g/mol
LogP8.70
Rot. Bonds7

About ethyl 2-[9-[2-(9-propylfluoren-9-yl)propan-2-yl]fluoren-9-yl]acetate

ethyl 2-[9-[2-(9-propylfluoren-9-yl)propan-2-yl]fluoren-9-yl]acetate (PubChem CID 118344197) has the molecular formula C36H36O2 and a molecular weight of 500.68 g/mol. Its IUPAC name is ethyl 2-[9-[2-(9-propylfluoren-9-yl)propan-2-yl]fluoren-9-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[9-[2-(9-propylfluoren-9-yl)propan-2-yl]fluoren-9-yl]acetate
PubChem CID118344197
Molecular FormulaC36H36O2
Molecular Weight500.68 g/mol
Exact Mass500.27
IUPAC Nameethyl 2-[9-[2-(9-propylfluoren-9-yl)propan-2-yl]fluoren-9-yl]acetate
SMILESCCCC1(C(C)(C)C2(CC(=O)OCC)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C36H36O2/c1-5-23-35(29-19-11-7-15-25(29)26-16-8-12-20-30(26)35)34(3,4)36(24-33(37)38-6-2)31-21-13-9-17-27(31)28-18-10-14-22-32(28)36/h7-22H,5-6,23-24H2,1-4H3
InChIKeyZQJODAVOSRASGR-UHFFFAOYSA-N
XLogP8.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.68
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[9-[2-(9-propylfluoren-9-yl)propan-2-yl]fluoren-9-yl]acetate?
The IUPAC name of ethyl 2-[9-[2-(9-propylfluoren-9-yl)propan-2-yl]fluoren-9-yl]acetate (CID 118344197) is ethyl 2-[9-[2-(9-propylfluoren-9-yl)propan-2-yl]fluoren-9-yl]acetate.
What is the SMILES notation for ethyl 2-[9-[2-(9-propylfluoren-9-yl)propan-2-yl]fluoren-9-yl]acetate?
The canonical SMILES for ethyl 2-[9-[2-(9-propylfluoren-9-yl)propan-2-yl]fluoren-9-yl]acetate is CCCC1(C(C)(C)C2(CC(=O)OCC)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21.
What is the InChIKey of ethyl 2-[9-[2-(9-propylfluoren-9-yl)propan-2-yl]fluoren-9-yl]acetate?
The InChIKey is ZQJODAVOSRASGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36O2/c1-5-23-35(29-19-11-7-15-25(29)26-16-8-12-20-30(26)35)34(3,4)36(24-33(37)38-6-2)31-21-13-9-17-27(31)28-18-10-14-22-32(28)36/h7-22H,5-6,23-24H2,1-4H3.
What are the key properties of ethyl 2-[9-[2-(9-propylfluoren-9-yl)propan-2-yl]fluoren-9-yl]acetate?
ethyl 2-[9-[2-(9-propylfluoren-9-yl)propan-2-yl]fluoren-9-yl]acetate has a molecular weight of 500.68 g/mol, XLogP of 8.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[9-[2-(9-propylfluoren-9-yl)propan-2-yl]fluoren-9-yl]acetate is sourced from PubChem (CID 118344197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).