[2-(9H-fluoren-9-yl)-1-(5-tributylstannylthiophen-2-yl)ethyl]carbamic acid

C32H43NO2SSn — CID 67287602

IUPAC[2-(9H-fluoren-9-yl)-1-(5-tributylstannylthiophen-2-yl)ethyl]carbamic acid
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C(CC2c3ccccc3-c3ccccc32)NC(=O)O)s1
InChIInChI=1S/C20H16NO2S.3C4H9.Sn/c22-20(23)21-18(19-10-5-11-24-19)12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17;3*1-3-4-2;/h1-10,17-18,21H,12H2,(H,22,23);3*1,3-4H2,2H3;
InChIKeyPTLKBNPWVSBRJX-UHFFFAOYSA-N
MW624.48 g/mol
LogP9.32
Rot. Bonds14

About [2-(9H-fluoren-9-yl)-1-(5-tributylstannylthiophen-2-yl)ethyl]carbamic acid

[2-(9H-fluoren-9-yl)-1-(5-tributylstannylthiophen-2-yl)ethyl]carbamic acid (PubChem CID 67287602) has the molecular formula C32H43NO2SSn and a molecular weight of 624.48 g/mol. Its IUPAC name is [2-(9H-fluoren-9-yl)-1-(5-tributylstannylthiophen-2-yl)ethyl]carbamic acid.

Molecular Properties

Compound Name[2-(9H-fluoren-9-yl)-1-(5-tributylstannylthiophen-2-yl)ethyl]carbamic acid
PubChem CID67287602
Molecular FormulaC32H43NO2SSn
Molecular Weight624.48 g/mol
Exact Mass625.20
IUPAC Name[2-(9H-fluoren-9-yl)-1-(5-tributylstannylthiophen-2-yl)ethyl]carbamic acid
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C(CC2c3ccccc3-c3ccccc32)NC(=O)O)s1
InChIInChI=1S/C20H16NO2S.3C4H9.Sn/c22-20(23)21-18(19-10-5-11-24-19)12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17;3*1-3-4-2;/h1-10,17-18,21H,12H2,(H,22,23);3*1,3-4H2,2H3;
InChIKeyPTLKBNPWVSBRJX-UHFFFAOYSA-N
XLogP9.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.48
LogP ≤ 59.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-9-yl)-1-(5-tributylstannylthiophen-2-yl)ethyl]carbamic acid?
The IUPAC name of [2-(9H-fluoren-9-yl)-1-(5-tributylstannylthiophen-2-yl)ethyl]carbamic acid (CID 67287602) is [2-(9H-fluoren-9-yl)-1-(5-tributylstannylthiophen-2-yl)ethyl]carbamic acid.
What is the SMILES notation for [2-(9H-fluoren-9-yl)-1-(5-tributylstannylthiophen-2-yl)ethyl]carbamic acid?
The canonical SMILES for [2-(9H-fluoren-9-yl)-1-(5-tributylstannylthiophen-2-yl)ethyl]carbamic acid is CCCC[Sn](CCCC)(CCCC)c1ccc(C(CC2c3ccccc3-c3ccccc32)NC(=O)O)s1.
What is the InChIKey of [2-(9H-fluoren-9-yl)-1-(5-tributylstannylthiophen-2-yl)ethyl]carbamic acid?
The InChIKey is PTLKBNPWVSBRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16NO2S.3C4H9.Sn/c22-20(23)21-18(19-10-5-11-24-19)12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17;3*1-3-4-2;/h1-10,17-18,21H,12H2,(H,22,23);3*1,3-4H2,2H3;.
What are the key properties of [2-(9H-fluoren-9-yl)-1-(5-tributylstannylthiophen-2-yl)ethyl]carbamic acid?
[2-(9H-fluoren-9-yl)-1-(5-tributylstannylthiophen-2-yl)ethyl]carbamic acid has a molecular weight of 624.48 g/mol, XLogP of 9.32, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-9-yl)-1-(5-tributylstannylthiophen-2-yl)ethyl]carbamic acid is sourced from PubChem (CID 67287602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).