9H-fluoren-9-ylmethyl 7H-purine-2-carboxylate

C20H14N4O2 — CID 140977622

IUPAC9H-fluoren-9-ylmethyl 7H-purine-2-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)c1ncc2[nH]cnc2n1
InChIInChI=1S/C20H14N4O2/c25-20(19-21-9-17-18(24-19)23-11-22-17)26-10-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-9,11,16H,10H2,(H,21,22,23,24)
InChIKeyPXCCYSGEXLESJT-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.32
Rot. Bonds3

About 9H-fluoren-9-ylmethyl 7H-purine-2-carboxylate

9H-fluoren-9-ylmethyl 7H-purine-2-carboxylate (PubChem CID 140977622) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 7H-purine-2-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 7H-purine-2-carboxylate
PubChem CID140977622
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name9H-fluoren-9-ylmethyl 7H-purine-2-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)c1ncc2[nH]cnc2n1
InChIInChI=1S/C20H14N4O2/c25-20(19-21-9-17-18(24-19)23-11-22-17)26-10-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-9,11,16H,10H2,(H,21,22,23,24)
InChIKeyPXCCYSGEXLESJT-UHFFFAOYSA-N
XLogP3.32
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7H-purine-2-carboxylic acid;hydrochloride
CID 162322232
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
2-(7H-purin-2-ylmethoxy)ethyl benzoate
CID 154224855
(2S)-2-amino-4-methylsulfanyl-1-(7H-purin-2-yl)butan-1-one
CID 141038141
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
CID 23573686
CID 23573686
6-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pyridine-3-carboxylic acid
CID 141092800
9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate
CID 4038449
bis(9H-fluoren-9-ylmethyl) (2S)-2-aminobutanedioate
CID 11511488

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 7H-purine-2-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 7H-purine-2-carboxylate (CID 140977622) is 9H-fluoren-9-ylmethyl 7H-purine-2-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 7H-purine-2-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 7H-purine-2-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)c1ncc2[nH]cnc2n1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 7H-purine-2-carboxylate?
The InChIKey is PXCCYSGEXLESJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-20(19-21-9-17-18(24-19)23-11-22-17)26-10-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-9,11,16H,10H2,(H,21,22,23,24).
What are the key properties of 9H-fluoren-9-ylmethyl 7H-purine-2-carboxylate?
9H-fluoren-9-ylmethyl 7H-purine-2-carboxylate has a molecular weight of 342.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 7H-purine-2-carboxylate is sourced from PubChem (CID 140977622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).