N,N-diphenyl-4-(5-tributylstannylthiophen-2-yl)aniline

C34H43NSSn — CID 18769421

IUPACN,N-diphenyl-4-(5-tributylstannylthiophen-2-yl)aniline
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1
InChIInChI=1S/C22H16NS.3C4H9.Sn/c1-3-8-19(9-4-1)23(20-10-5-2-6-11-20)21-15-13-18(14-16-21)22-12-7-17-24-22;3*1-3-4-2;/h1-16H;3*1,3-4H2,2H3;
InChIKeyPUWDOCVIINDXPU-UHFFFAOYSA-N
MW616.50 g/mol
LogP10.94
Rot. Bonds14

About N,N-diphenyl-4-(5-tributylstannylthiophen-2-yl)aniline

N,N-diphenyl-4-(5-tributylstannylthiophen-2-yl)aniline (PubChem CID 18769421) has the molecular formula C34H43NSSn and a molecular weight of 616.50 g/mol. Its IUPAC name is N,N-diphenyl-4-(5-tributylstannylthiophen-2-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(5-tributylstannylthiophen-2-yl)aniline
PubChem CID18769421
Molecular FormulaC34H43NSSn
Molecular Weight616.50 g/mol
Exact Mass617.21
IUPAC NameN,N-diphenyl-4-(5-tributylstannylthiophen-2-yl)aniline
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1
InChIInChI=1S/C22H16NS.3C4H9.Sn/c1-3-8-19(9-4-1)23(20-10-5-2-6-11-20)21-15-13-18(14-16-21)22-12-7-17-24-22;3*1-3-4-2;/h1-16H;3*1,3-4H2,2H3;
InChIKeyPUWDOCVIINDXPU-UHFFFAOYSA-N
XLogP10.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.50
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(5-tributylstannylthiophen-2-yl)aniline?
The IUPAC name of N,N-diphenyl-4-(5-tributylstannylthiophen-2-yl)aniline (CID 18769421) is N,N-diphenyl-4-(5-tributylstannylthiophen-2-yl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(5-tributylstannylthiophen-2-yl)aniline?
The canonical SMILES for N,N-diphenyl-4-(5-tributylstannylthiophen-2-yl)aniline is CCCC[Sn](CCCC)(CCCC)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)s1.
What is the InChIKey of N,N-diphenyl-4-(5-tributylstannylthiophen-2-yl)aniline?
The InChIKey is PUWDOCVIINDXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16NS.3C4H9.Sn/c1-3-8-19(9-4-1)23(20-10-5-2-6-11-20)21-15-13-18(14-16-21)22-12-7-17-24-22;3*1-3-4-2;/h1-16H;3*1,3-4H2,2H3;.
What are the key properties of N,N-diphenyl-4-(5-tributylstannylthiophen-2-yl)aniline?
N,N-diphenyl-4-(5-tributylstannylthiophen-2-yl)aniline has a molecular weight of 616.50 g/mol, XLogP of 10.94, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(5-tributylstannylthiophen-2-yl)aniline is sourced from PubChem (CID 18769421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).