[9H-fluoren-9-yl-(5-tributylstannylthiophen-2-yl)methyl]-methylcarbamic acid

C32H43NO2SSn — CID 67287608

IUPAC[9H-fluoren-9-yl-(5-tributylstannylthiophen-2-yl)methyl]-methylcarbamic acid
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C(C2c3ccccc3-c3ccccc32)N(C)C(=O)O)s1
InChIInChI=1S/C20H16NO2S.3C4H9.Sn/c1-21(20(22)23)19(17-11-6-12-24-17)18-15-9-4-2-7-13(15)14-8-3-5-10-16(14)18;3*1-3-4-2;/h2-11,18-19H,1H3,(H,22,23);3*1,3-4H2,2H3;
InChIKeyZBXLNFFVFSTUEC-UHFFFAOYSA-N
MW624.48 g/mol
LogP9.27
Rot. Bonds13

About [9H-fluoren-9-yl-(5-tributylstannylthiophen-2-yl)methyl]-methylcarbamic acid

[9H-fluoren-9-yl-(5-tributylstannylthiophen-2-yl)methyl]-methylcarbamic acid (PubChem CID 67287608) has the molecular formula C32H43NO2SSn and a molecular weight of 624.48 g/mol. Its IUPAC name is [9H-fluoren-9-yl-(5-tributylstannylthiophen-2-yl)methyl]-methylcarbamic acid.

Molecular Properties

Compound Name[9H-fluoren-9-yl-(5-tributylstannylthiophen-2-yl)methyl]-methylcarbamic acid
PubChem CID67287608
Molecular FormulaC32H43NO2SSn
Molecular Weight624.48 g/mol
Exact Mass625.20
IUPAC Name[9H-fluoren-9-yl-(5-tributylstannylthiophen-2-yl)methyl]-methylcarbamic acid
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C(C2c3ccccc3-c3ccccc32)N(C)C(=O)O)s1
InChIInChI=1S/C20H16NO2S.3C4H9.Sn/c1-21(20(22)23)19(17-11-6-12-24-17)18-15-9-4-2-7-13(15)14-8-3-5-10-16(14)18;3*1-3-4-2;/h2-11,18-19H,1H3,(H,22,23);3*1,3-4H2,2H3;
InChIKeyZBXLNFFVFSTUEC-UHFFFAOYSA-N
XLogP9.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.48
LogP ≤ 59.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(9H-fluoren-9-yl)-1-(5-tributylstannylthiophen-2-yl)ethyl]carbamic acid
CID 67287602
9H-fluoren-9-ylmethyl N-[(5-tributylstannylthiophen-2-yl)methyl]carbamate
CID 140714089
9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene
CID 19706049
dipentyl 2,3-bis(9H-fluoren-9-yl)butanedioate
CID 174985564
N-butyl-N-methyl-9H-fluoren-9-amine
CID 14340271
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]heptanoic acid
CID 95565913
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
1-(9H-fluoren-9-yl)pentyl formate
CID 57002475
(4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one
CID 7385778
ethyl (2S)-2-(9H-fluoren-9-yl)-2-(N-methoxycarbonylanilino)acetate
CID 54280060
3-(dibutylamino)propyl 9H-fluorene-9-carboxylate;hydrochloride
CID 138400608
1-(9H-fluoren-9-yl)butan-1-one
CID 83046964

Frequently Asked Questions

What is the IUPAC name of [9H-fluoren-9-yl-(5-tributylstannylthiophen-2-yl)methyl]-methylcarbamic acid?
The IUPAC name of [9H-fluoren-9-yl-(5-tributylstannylthiophen-2-yl)methyl]-methylcarbamic acid (CID 67287608) is [9H-fluoren-9-yl-(5-tributylstannylthiophen-2-yl)methyl]-methylcarbamic acid.
What is the SMILES notation for [9H-fluoren-9-yl-(5-tributylstannylthiophen-2-yl)methyl]-methylcarbamic acid?
The canonical SMILES for [9H-fluoren-9-yl-(5-tributylstannylthiophen-2-yl)methyl]-methylcarbamic acid is CCCC[Sn](CCCC)(CCCC)c1ccc(C(C2c3ccccc3-c3ccccc32)N(C)C(=O)O)s1.
What is the InChIKey of [9H-fluoren-9-yl-(5-tributylstannylthiophen-2-yl)methyl]-methylcarbamic acid?
The InChIKey is ZBXLNFFVFSTUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16NO2S.3C4H9.Sn/c1-21(20(22)23)19(17-11-6-12-24-17)18-15-9-4-2-7-13(15)14-8-3-5-10-16(14)18;3*1-3-4-2;/h2-11,18-19H,1H3,(H,22,23);3*1,3-4H2,2H3;.
What are the key properties of [9H-fluoren-9-yl-(5-tributylstannylthiophen-2-yl)methyl]-methylcarbamic acid?
[9H-fluoren-9-yl-(5-tributylstannylthiophen-2-yl)methyl]-methylcarbamic acid has a molecular weight of 624.48 g/mol, XLogP of 9.27, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9H-fluoren-9-yl-(5-tributylstannylthiophen-2-yl)methyl]-methylcarbamic acid is sourced from PubChem (CID 67287608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).