9H-fluoren-9-ylmethyl N-[(5-tributylstannylthiophen-2-yl)methyl]carbamate

C32H43NO2SSn — CID 140714089

IUPAC9H-fluoren-9-ylmethyl N-[(5-tributylstannylthiophen-2-yl)methyl]carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)s1
InChIInChI=1S/C20H16NO2S.3C4H9.Sn/c22-20(21-12-14-6-5-11-24-14)23-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19;3*1-3-4-2;/h1-10,19H,12-13H2,(H,21,22);3*1,3-4H2,2H3;
InChIKeyABVLGXCBUDNQRM-UHFFFAOYSA-N
MW624.48 g/mol
LogP8.84
Rot. Bonds14

About 9H-fluoren-9-ylmethyl N-[(5-tributylstannylthiophen-2-yl)methyl]carbamate

9H-fluoren-9-ylmethyl N-[(5-tributylstannylthiophen-2-yl)methyl]carbamate (PubChem CID 140714089) has the molecular formula C32H43NO2SSn and a molecular weight of 624.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(5-tributylstannylthiophen-2-yl)methyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(5-tributylstannylthiophen-2-yl)methyl]carbamate
PubChem CID140714089
Molecular FormulaC32H43NO2SSn
Molecular Weight624.48 g/mol
Exact Mass625.20
IUPAC Name9H-fluoren-9-ylmethyl N-[(5-tributylstannylthiophen-2-yl)methyl]carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)s1
InChIInChI=1S/C20H16NO2S.3C4H9.Sn/c22-20(21-12-14-6-5-11-24-14)23-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19;3*1-3-4-2;/h1-10,19H,12-13H2,(H,21,22);3*1,3-4H2,2H3;
InChIKeyABVLGXCBUDNQRM-UHFFFAOYSA-N
XLogP8.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.48
LogP ≤ 58.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl]carbamate
CID 158408156
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxyhexan-2-yl]carbamate
CID 57359373
[2-(9H-fluoren-9-yl)-1-(5-tributylstannylthiophen-2-yl)ethyl]carbamic acid
CID 67287602
9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270
9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate
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9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate
CID 66869994
9H-fluoren-9-ylmethyl N-(2-propoxyethyl)carbamate
CID 23569178
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
9H-fluoren-9-ylmethyl N-[1-(octadecylamino)-1-oxopropan-2-yl]carbamate
CID 102097431
octyl (2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate
CID 172553228
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(5-tributylstannylthiophen-2-yl)methyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(5-tributylstannylthiophen-2-yl)methyl]carbamate (CID 140714089) is 9H-fluoren-9-ylmethyl N-[(5-tributylstannylthiophen-2-yl)methyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(5-tributylstannylthiophen-2-yl)methyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(5-tributylstannylthiophen-2-yl)methyl]carbamate is CCCC[Sn](CCCC)(CCCC)c1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)s1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(5-tributylstannylthiophen-2-yl)methyl]carbamate?
The InChIKey is ABVLGXCBUDNQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16NO2S.3C4H9.Sn/c22-20(21-12-14-6-5-11-24-14)23-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19;3*1-3-4-2;/h1-10,19H,12-13H2,(H,21,22);3*1,3-4H2,2H3;.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(5-tributylstannylthiophen-2-yl)methyl]carbamate?
9H-fluoren-9-ylmethyl N-[(5-tributylstannylthiophen-2-yl)methyl]carbamate has a molecular weight of 624.48 g/mol, XLogP of 8.84, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(5-tributylstannylthiophen-2-yl)methyl]carbamate is sourced from PubChem (CID 140714089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).