N,N-diphenyl-3-[6-tributylstannyl-4-(trifluoromethyl)-2-pyridinyl]aniline

C36H43F3N2Sn — CID 140905985

IUPACN,N-diphenyl-3-[6-tributylstannyl-4-(trifluoromethyl)-2-pyridinyl]aniline
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C(F)(F)F)cc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)n1
InChIInChI=1S/C24H16F3N2.3C4H9.Sn/c25-24(26,27)19-14-15-28-23(17-19)18-8-7-13-22(16-18)29(20-9-3-1-4-10-20)21-11-5-2-6-12-21;3*1-3-4-2;/h1-14,16-17H;3*1,3-4H2,2H3;
InChIKeyGKXUBPBEJRRVIK-UHFFFAOYSA-N
MW679.46 g/mol
LogP11.29
Rot. Bonds14

About N,N-diphenyl-3-[6-tributylstannyl-4-(trifluoromethyl)-2-pyridinyl]aniline

N,N-diphenyl-3-[6-tributylstannyl-4-(trifluoromethyl)-2-pyridinyl]aniline (PubChem CID 140905985) has the molecular formula C36H43F3N2Sn and a molecular weight of 679.46 g/mol. Its IUPAC name is N,N-diphenyl-3-[6-tributylstannyl-4-(trifluoromethyl)-2-pyridinyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-3-[6-tributylstannyl-4-(trifluoromethyl)-2-pyridinyl]aniline
PubChem CID140905985
Molecular FormulaC36H43F3N2Sn
Molecular Weight679.46 g/mol
Exact Mass680.24
IUPAC NameN,N-diphenyl-3-[6-tributylstannyl-4-(trifluoromethyl)-2-pyridinyl]aniline
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C(F)(F)F)cc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)n1
InChIInChI=1S/C24H16F3N2.3C4H9.Sn/c25-24(26,27)19-14-15-28-23(17-19)18-8-7-13-22(16-18)29(20-9-3-1-4-10-20)21-11-5-2-6-12-21;3*1-3-4-2;/h1-14,16-17H;3*1,3-4H2,2H3;
InChIKeyGKXUBPBEJRRVIK-UHFFFAOYSA-N
XLogP11.29
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.46
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine
CID 163288516
tributyl-(4-phenyl-2-pyridinyl)stannane
CID 67508437
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
6-(3-fluorophenyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716586
N-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076
6-(3-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716831
3-(5-tert-butylpyrimidin-2-yl)-N,N-diphenylaniline
CID 140591619
dibutyl-pentyl-(6-pyridin-2-yl-2-pyridinyl)stannane
CID 144702950
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
3-butyl-N-(3-butylphenyl)-N-phenylaniline
CID 90178850
6-(3-bromophenyl)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716853

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-[6-tributylstannyl-4-(trifluoromethyl)-2-pyridinyl]aniline?
The IUPAC name of N,N-diphenyl-3-[6-tributylstannyl-4-(trifluoromethyl)-2-pyridinyl]aniline (CID 140905985) is N,N-diphenyl-3-[6-tributylstannyl-4-(trifluoromethyl)-2-pyridinyl]aniline.
What is the SMILES notation for N,N-diphenyl-3-[6-tributylstannyl-4-(trifluoromethyl)-2-pyridinyl]aniline?
The canonical SMILES for N,N-diphenyl-3-[6-tributylstannyl-4-(trifluoromethyl)-2-pyridinyl]aniline is CCCC[Sn](CCCC)(CCCC)c1cc(C(F)(F)F)cc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)n1.
What is the InChIKey of N,N-diphenyl-3-[6-tributylstannyl-4-(trifluoromethyl)-2-pyridinyl]aniline?
The InChIKey is GKXUBPBEJRRVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N2.3C4H9.Sn/c25-24(26,27)19-14-15-28-23(17-19)18-8-7-13-22(16-18)29(20-9-3-1-4-10-20)21-11-5-2-6-12-21;3*1-3-4-2;/h1-14,16-17H;3*1,3-4H2,2H3;.
What are the key properties of N,N-diphenyl-3-[6-tributylstannyl-4-(trifluoromethyl)-2-pyridinyl]aniline?
N,N-diphenyl-3-[6-tributylstannyl-4-(trifluoromethyl)-2-pyridinyl]aniline has a molecular weight of 679.46 g/mol, XLogP of 11.29, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3-[6-tributylstannyl-4-(trifluoromethyl)-2-pyridinyl]aniline is sourced from PubChem (CID 140905985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).