triphenylstannyl 9H-fluorene-9-carboxylate

C32H24O2Sn — CID 71445890

IUPACtriphenylstannyl 9H-fluorene-9-carboxylate
SMILESO=C(O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C14H10O2.3C6H5.Sn/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;3*1-2-4-6-5-3-1;/h1-8,13H,(H,15,16);3*1-5H;/q;;;;+1/p-1
InChIKeyHKYLBVFAHDEDIV-UHFFFAOYSA-M
MW559.25 g/mol
LogP5.01
Rot. Bonds5

About triphenylstannyl 9H-fluorene-9-carboxylate

triphenylstannyl 9H-fluorene-9-carboxylate (PubChem CID 71445890) has the molecular formula C32H24O2Sn and a molecular weight of 559.25 g/mol. Its IUPAC name is triphenylstannyl 9H-fluorene-9-carboxylate.

Molecular Properties

Compound Nametriphenylstannyl 9H-fluorene-9-carboxylate
PubChem CID71445890
Molecular FormulaC32H24O2Sn
Molecular Weight559.25 g/mol
Exact Mass560.08
IUPAC Nametriphenylstannyl 9H-fluorene-9-carboxylate
SMILESO=C(O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C14H10O2.3C6H5.Sn/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;3*1-2-4-6-5-3-1;/h1-8,13H,(H,15,16);3*1-5H;/q;;;;+1/p-1
InChIKeyHKYLBVFAHDEDIV-UHFFFAOYSA-M
XLogP5.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.25
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9H-fluoren-9-yl)-3-oxopropanoic acid
CID 13146062
methyl (9R)-2-chloro-9H-fluorene-9-carboxylate
CID 76968611
N,N-bis(9H-fluorene-9-carbonyl)-9H-fluorene-9-carboxamide
CID 70378665
2-(9H-fluorene-9-carbonyloxy)ethanesulfonic acid
CID 121308516
methyl 2-methyl-9H-fluorene-9-carboxylate
CID 139254055
2-hydroxyethyl 9H-fluorene-9-carboxylate;2-methylprop-2-enoic acid
CID 70268777
2-(2-methylpropylamino)ethyl 9H-fluorene-9-carboxylate
CID 23621651
2-(diethylamino)ethyl 9H-fluorene-9-carboxylate;hydrochloride
CID 11058
2-fluoro-9H-fluorene-9-carboxylic acid
CID 14579584
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
1-(9H-fluoren-9-yl)butan-1-one
CID 83046964
methyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate
CID 23629522

Frequently Asked Questions

What is the IUPAC name of triphenylstannyl 9H-fluorene-9-carboxylate?
The IUPAC name of triphenylstannyl 9H-fluorene-9-carboxylate (CID 71445890) is triphenylstannyl 9H-fluorene-9-carboxylate.
What is the SMILES notation for triphenylstannyl 9H-fluorene-9-carboxylate?
The canonical SMILES for triphenylstannyl 9H-fluorene-9-carboxylate is O=C(O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of triphenylstannyl 9H-fluorene-9-carboxylate?
The InChIKey is HKYLBVFAHDEDIV-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10O2.3C6H5.Sn/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;3*1-2-4-6-5-3-1;/h1-8,13H,(H,15,16);3*1-5H;/q;;;;+1/p-1.
What are the key properties of triphenylstannyl 9H-fluorene-9-carboxylate?
triphenylstannyl 9H-fluorene-9-carboxylate has a molecular weight of 559.25 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylstannyl 9H-fluorene-9-carboxylate is sourced from PubChem (CID 71445890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).