9H-fluoren-9-yl 2-(6-ethenylnaphthalen-2-yl)acetate

C27H20O2 — CID 122469823

IUPAC9H-fluoren-9-yl 2-(6-ethenylnaphthalen-2-yl)acetate
SMILESC=Cc1ccc2cc(CC(=O)OC3c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C27H20O2/c1-2-18-11-13-21-16-19(12-14-20(21)15-18)17-26(28)29-27-24-9-5-3-7-22(24)23-8-4-6-10-25(23)27/h2-16,27H,1,17H2
InChIKeyXEINDDKCNAWCBR-UHFFFAOYSA-N
MW376.46 g/mol
LogP6.34
Rot. Bonds4

About 9H-fluoren-9-yl 2-(6-ethenylnaphthalen-2-yl)acetate

9H-fluoren-9-yl 2-(6-ethenylnaphthalen-2-yl)acetate (PubChem CID 122469823) has the molecular formula C27H20O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 9H-fluoren-9-yl 2-(6-ethenylnaphthalen-2-yl)acetate.

Molecular Properties

Compound Name9H-fluoren-9-yl 2-(6-ethenylnaphthalen-2-yl)acetate
PubChem CID122469823
Molecular FormulaC27H20O2
Molecular Weight376.46 g/mol
Exact Mass376.15
IUPAC Name9H-fluoren-9-yl 2-(6-ethenylnaphthalen-2-yl)acetate
SMILESC=Cc1ccc2cc(CC(=O)OC3c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C27H20O2/c1-2-18-11-13-21-16-19(12-14-20(21)15-18)17-26(28)29-27-24-9-5-3-7-22(24)23-8-4-6-10-25(23)27/h2-16,27H,1,17H2
InChIKeyXEINDDKCNAWCBR-UHFFFAOYSA-N
XLogP6.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 2-(6-ethenylnaphthalen-2-yl)acetate?
The IUPAC name of 9H-fluoren-9-yl 2-(6-ethenylnaphthalen-2-yl)acetate (CID 122469823) is 9H-fluoren-9-yl 2-(6-ethenylnaphthalen-2-yl)acetate.
What is the SMILES notation for 9H-fluoren-9-yl 2-(6-ethenylnaphthalen-2-yl)acetate?
The canonical SMILES for 9H-fluoren-9-yl 2-(6-ethenylnaphthalen-2-yl)acetate is C=Cc1ccc2cc(CC(=O)OC3c4ccccc4-c4ccccc43)ccc2c1.
What is the InChIKey of 9H-fluoren-9-yl 2-(6-ethenylnaphthalen-2-yl)acetate?
The InChIKey is XEINDDKCNAWCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O2/c1-2-18-11-13-21-16-19(12-14-20(21)15-18)17-26(28)29-27-24-9-5-3-7-22(24)23-8-4-6-10-25(23)27/h2-16,27H,1,17H2.
What are the key properties of 9H-fluoren-9-yl 2-(6-ethenylnaphthalen-2-yl)acetate?
9H-fluoren-9-yl 2-(6-ethenylnaphthalen-2-yl)acetate has a molecular weight of 376.46 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl 2-(6-ethenylnaphthalen-2-yl)acetate is sourced from PubChem (CID 122469823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).