N,N-diphenyl-5-tributylstannylfuran-2-amine

C28H39NOSn — CID 152704451

IUPACN,N-diphenyl-5-tributylstannylfuran-2-amine
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(N(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C16H12NO.3C4H9.Sn/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15;3*1-3-4-2;/h1-12H;3*1,3-4H2,2H3;
InChIKeyZSGUHADXTWWXDB-UHFFFAOYSA-N
MW524.34 g/mol
LogP8.81
Rot. Bonds13

About N,N-diphenyl-5-tributylstannylfuran-2-amine

N,N-diphenyl-5-tributylstannylfuran-2-amine (PubChem CID 152704451) has the molecular formula C28H39NOSn and a molecular weight of 524.34 g/mol. Its IUPAC name is N,N-diphenyl-5-tributylstannylfuran-2-amine.

Molecular Properties

Compound NameN,N-diphenyl-5-tributylstannylfuran-2-amine
PubChem CID152704451
Molecular FormulaC28H39NOSn
Molecular Weight524.34 g/mol
Exact Mass525.21
IUPAC NameN,N-diphenyl-5-tributylstannylfuran-2-amine
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(N(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C16H12NO.3C4H9.Sn/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15;3*1-3-4-2;/h1-12H;3*1,3-4H2,2H3;
InChIKeyZSGUHADXTWWXDB-UHFFFAOYSA-N
XLogP8.81
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.34
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
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CID 177463927
CID 177463927
tributyl(phenanthridin-6-yl)stannane
CID 171832720
N,N-diphenyl-3-[6-tributylstannyl-4-(trifluoromethyl)-2-pyridinyl]aniline
CID 140905985
2-N,5-N-dinaphthalen-2-yl-2-N,5-N-diphenylfuran-2,5-diamine
CID 139844355
N-heptyl-N-methylaniline
CID 54015540
N-dodecyl-N-methylaniline;hydrochloride
CID 23333551
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
N,N-diphenyl-4-tetradecylaniline
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N-nonadecan-10-yl-N-phenylaniline
CID 175110004

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-5-tributylstannylfuran-2-amine?
The IUPAC name of N,N-diphenyl-5-tributylstannylfuran-2-amine (CID 152704451) is N,N-diphenyl-5-tributylstannylfuran-2-amine.
What is the SMILES notation for N,N-diphenyl-5-tributylstannylfuran-2-amine?
The canonical SMILES for N,N-diphenyl-5-tributylstannylfuran-2-amine is CCCC[Sn](CCCC)(CCCC)c1ccc(N(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of N,N-diphenyl-5-tributylstannylfuran-2-amine?
The InChIKey is ZSGUHADXTWWXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12NO.3C4H9.Sn/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15;3*1-3-4-2;/h1-12H;3*1,3-4H2,2H3;.
What are the key properties of N,N-diphenyl-5-tributylstannylfuran-2-amine?
N,N-diphenyl-5-tributylstannylfuran-2-amine has a molecular weight of 524.34 g/mol, XLogP of 8.81, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-5-tributylstannylfuran-2-amine is sourced from PubChem (CID 152704451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).