N,N-bis(4-methoxyphenyl)-5-tributylstannylthiophen-2-amine

C30H43NO2SSn — CID 156653524

IUPACN,N-bis(4-methoxyphenyl)-5-tributylstannylthiophen-2-amine
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)s1
InChIInChI=1S/C18H16NO2S.3C4H9.Sn/c1-20-16-9-5-14(6-10-16)19(18-4-3-13-22-18)15-7-11-17(21-2)12-8-15;3*1-3-4-2;/h3-12H,1-2H3;3*1,3-4H2,2H3;
InChIKeyNDAJNTDQMMRXFF-UHFFFAOYSA-N
MW600.46 g/mol
LogP9.29
Rot. Bonds15

About N,N-bis(4-methoxyphenyl)-5-tributylstannylthiophen-2-amine

N,N-bis(4-methoxyphenyl)-5-tributylstannylthiophen-2-amine (PubChem CID 156653524) has the molecular formula C30H43NO2SSn and a molecular weight of 600.46 g/mol. Its IUPAC name is N,N-bis(4-methoxyphenyl)-5-tributylstannylthiophen-2-amine.

Molecular Properties

Compound NameN,N-bis(4-methoxyphenyl)-5-tributylstannylthiophen-2-amine
PubChem CID156653524
Molecular FormulaC30H43NO2SSn
Molecular Weight600.46 g/mol
Exact Mass601.20
IUPAC NameN,N-bis(4-methoxyphenyl)-5-tributylstannylthiophen-2-amine
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)s1
InChIInChI=1S/C18H16NO2S.3C4H9.Sn/c1-20-16-9-5-14(6-10-16)19(18-4-3-13-22-18)15-7-11-17(21-2)12-8-15;3*1-3-4-2;/h3-12H,1-2H3;3*1,3-4H2,2H3;
InChIKeyNDAJNTDQMMRXFF-UHFFFAOYSA-N
XLogP9.29
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.46
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tributyl-(4-methoxyphenyl)stannane
CID 2762547
tributyl-[2-(4-methoxyphenyl)thieno[3,2-b]thiophen-5-yl]stannane
CID 142513471
tributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane
CID 139255137
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
CID 139670157
N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline
CID 18996772
4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]aniline
CID 121305216
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
N-[(4-methoxyphenyl)methyl]-3-(5-tributylstannyl-1,3-thiazol-2-yl)oxetan-3-amine
CID 67003616
tributyl-[5-[5-(5-butylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]stannane
CID 140799576
tributyl-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]stannane
CID 69434687
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methoxyphenyl)-5-tributylstannylthiophen-2-amine?
The IUPAC name of N,N-bis(4-methoxyphenyl)-5-tributylstannylthiophen-2-amine (CID 156653524) is N,N-bis(4-methoxyphenyl)-5-tributylstannylthiophen-2-amine.
What is the SMILES notation for N,N-bis(4-methoxyphenyl)-5-tributylstannylthiophen-2-amine?
The canonical SMILES for N,N-bis(4-methoxyphenyl)-5-tributylstannylthiophen-2-amine is CCCC[Sn](CCCC)(CCCC)c1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)s1.
What is the InChIKey of N,N-bis(4-methoxyphenyl)-5-tributylstannylthiophen-2-amine?
The InChIKey is NDAJNTDQMMRXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16NO2S.3C4H9.Sn/c1-20-16-9-5-14(6-10-16)19(18-4-3-13-22-18)15-7-11-17(21-2)12-8-15;3*1-3-4-2;/h3-12H,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of N,N-bis(4-methoxyphenyl)-5-tributylstannylthiophen-2-amine?
N,N-bis(4-methoxyphenyl)-5-tributylstannylthiophen-2-amine has a molecular weight of 600.46 g/mol, XLogP of 9.29, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methoxyphenyl)-5-tributylstannylthiophen-2-amine is sourced from PubChem (CID 156653524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).