1,1,2-tributyl-3-(2-naphthalen-2-ylethyl)stannirene

C26H38Sn — CID 164897821

IUPAC1,1,2-tributyl-3-(2-naphthalen-2-ylethyl)stannirene
SMILESCCCCC1=C(CCc2ccc3ccccc3c2)[Sn]1(CCCC)CCCC
InChIInChI=1S/C18H20.2C4H9.Sn/c1-2-3-4-5-6-7-10-16-13-14-17-11-8-9-12-18(17)15-16;2*1-3-4-2;/h8-9,11-15H,2-4,7,10H2,1H3;2*1,3-4H2,2H3;
InChIKeyILWJTFZSAFQDAT-UHFFFAOYSA-N
MW469.30 g/mol
LogP8.40
Rot. Bonds12

About 1,1,2-tributyl-3-(2-naphthalen-2-ylethyl)stannirene

1,1,2-tributyl-3-(2-naphthalen-2-ylethyl)stannirene (PubChem CID 164897821) has the molecular formula C26H38Sn and a molecular weight of 469.30 g/mol. Its IUPAC name is 1,1,2-tributyl-3-(2-naphthalen-2-ylethyl)stannirene.

Molecular Properties

Compound Name1,1,2-tributyl-3-(2-naphthalen-2-ylethyl)stannirene
PubChem CID164897821
Molecular FormulaC26H38Sn
Molecular Weight469.30 g/mol
Exact Mass470.20
IUPAC Name1,1,2-tributyl-3-(2-naphthalen-2-ylethyl)stannirene
SMILESCCCCC1=C(CCc2ccc3ccccc3c2)[Sn]1(CCCC)CCCC
InChIInChI=1S/C18H20.2C4H9.Sn/c1-2-3-4-5-6-7-10-16-13-14-17-11-8-9-12-18(17)15-16;2*1-3-4-2;/h8-9,11-15H,2-4,7,10H2,1H3;2*1,3-4H2,2H3;
InChIKeyILWJTFZSAFQDAT-UHFFFAOYSA-N
XLogP8.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.30
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butylpentacene
CID 172754039
2-butyltetracene
CID 177478805
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CID 142191207
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CID 58232616
2-octylanthracene
CID 23131226
2-pentylnaphthalene;prop-1-ene
CID 173098363
N-(2-naphthalen-2-ylethyl)-N-propylpropan-1-amine
CID 11230589
2-butyl-6-propylnaphthalene;propane
CID 123540121
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
6,16-bis[2-(4-butylphenyl)ethyl]pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene
CID 168727375
2-[(E)-dodec-5-enyl]naphthalene
CID 101304407
2-[(E)-henicos-13-enyl]naphthalene
CID 101307743

Frequently Asked Questions

What is the IUPAC name of 1,1,2-tributyl-3-(2-naphthalen-2-ylethyl)stannirene?
The IUPAC name of 1,1,2-tributyl-3-(2-naphthalen-2-ylethyl)stannirene (CID 164897821) is 1,1,2-tributyl-3-(2-naphthalen-2-ylethyl)stannirene.
What is the SMILES notation for 1,1,2-tributyl-3-(2-naphthalen-2-ylethyl)stannirene?
The canonical SMILES for 1,1,2-tributyl-3-(2-naphthalen-2-ylethyl)stannirene is CCCCC1=C(CCc2ccc3ccccc3c2)[Sn]1(CCCC)CCCC.
What is the InChIKey of 1,1,2-tributyl-3-(2-naphthalen-2-ylethyl)stannirene?
The InChIKey is ILWJTFZSAFQDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20.2C4H9.Sn/c1-2-3-4-5-6-7-10-16-13-14-17-11-8-9-12-18(17)15-16;2*1-3-4-2;/h8-9,11-15H,2-4,7,10H2,1H3;2*1,3-4H2,2H3;.
What are the key properties of 1,1,2-tributyl-3-(2-naphthalen-2-ylethyl)stannirene?
1,1,2-tributyl-3-(2-naphthalen-2-ylethyl)stannirene has a molecular weight of 469.30 g/mol, XLogP of 8.40, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tributyl-3-(2-naphthalen-2-ylethyl)stannirene is sourced from PubChem (CID 164897821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).