tributyl-[10-tributylstannyl-7-[4-[(E)-2-[4-[(E)-2-[3,4,5-tris[(3S)-3,7-dimethyloctoxy]phenyl]ethenyl]phenyl]ethenyl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]stannane

C84H133NO3S2Sn2 — CID 177497025

IUPACtributyl-[10-tributylstannyl-7-[4-[(E)-2-[4-[(E)-2-[3,4,5-tris[(3S)-3,7-dimethyloctoxy]phenyl]ethenyl]phenyl]ethenyl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc2c(s1)c1sc([Sn](CCCC)(CCCC)CCCC)cc1n2-c1ccc(/C=C/c2ccc(/C=C/c3cc(OCC[C@@H](C)CCCC(C)C)c(OCC[C@@H](C)CCCC(C)C)c(OCC[C@@H](C)CCCC(C)C)c3)cc2)cc1
InChIInChI=1S/C60H79NO3S2.6C4H9.2Sn/c1-43(2)13-10-16-46(7)31-36-62-56-41-52(42-57(63-37-32-47(8)17-11-14-44(3)4)58(56)64-38-33-48(9)18-12-15-45(5)6)26-25-50-21-19-49(20-22-50)23-24-51-27-29-53(30-28-51)61-54-34-39-65-59(54)60-55(61)35-40-66-60;6*1-3-4-2;;/h19-30,34-35,41-48H,10-18,31-33,36-38H2,1-9H3;6*1,3-4H2,2H3;;/b24-23+,26-25+;;;;;;;;/t46-,47-,48-;;;;;;;;/m0......../s1
InChIKeyZALXZKWIWBTAPW-SBTBDTOBSA-N
MW1506.55 g/mol
LogP27.05
Rot. Bonds49

About tributyl-[10-tributylstannyl-7-[4-[(E)-2-[4-[(E)-2-[3,4,5-tris[(3S)-3,7-dimethyloctoxy]phenyl]ethenyl]phenyl]ethenyl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]stannane

tributyl-[10-tributylstannyl-7-[4-[(E)-2-[4-[(E)-2-[3,4,5-tris[(3S)-3,7-dimethyloctoxy]phenyl]ethenyl]phenyl]ethenyl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]stannane (PubChem CID 177497025) has the molecular formula C84H133NO3S2Sn2 and a molecular weight of 1506.55 g/mol. Its IUPAC name is tributyl-[10-tributylstannyl-7-[4-[(E)-2-[4-[(E)-2-[3,4,5-tris[(3S)-3,7-dimethyloctoxy]phenyl]ethenyl]phenyl]ethenyl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]stannane.

Molecular Properties

Compound Nametributyl-[10-tributylstannyl-7-[4-[(E)-2-[4-[(E)-2-[3,4,5-tris[(3S)-3,7-dimethyloctoxy]phenyl]ethenyl]phenyl]ethenyl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]stannane
PubChem CID177497025
Molecular FormulaC84H133NO3S2Sn2
Molecular Weight1506.55 g/mol
Exact Mass1507.78
IUPAC Nametributyl-[10-tributylstannyl-7-[4-[(E)-2-[4-[(E)-2-[3,4,5-tris[(3S)-3,7-dimethyloctoxy]phenyl]ethenyl]phenyl]ethenyl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc2c(s1)c1sc([Sn](CCCC)(CCCC)CCCC)cc1n2-c1ccc(/C=C/c2ccc(/C=C/c3cc(OCC[C@@H](C)CCCC(C)C)c(OCC[C@@H](C)CCCC(C)C)c(OCC[C@@H](C)CCCC(C)C)c3)cc2)cc1
InChIInChI=1S/C60H79NO3S2.6C4H9.2Sn/c1-43(2)13-10-16-46(7)31-36-62-56-41-52(42-57(63-37-32-47(8)17-11-14-44(3)4)58(56)64-38-33-48(9)18-12-15-45(5)6)26-25-50-21-19-49(20-22-50)23-24-51-27-29-53(30-28-51)61-54-34-39-65-59(54)60-55(61)35-40-66-60;6*1-3-4-2;;/h19-30,34-35,41-48H,10-18,31-33,36-38H2,1-9H3;6*1,3-4H2,2H3;;/b24-23+,26-25+;;;;;;;;/t46-,47-,48-;;;;;;;;/m0......../s1
InChIKeyZALXZKWIWBTAPW-SBTBDTOBSA-N
XLogP27.05
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds49
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001506.55
LogP ≤ 527.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze tributyl-[10-tributylstannyl-7-[4-[(E)-2-[4-[(E)-2-[3,4,5-tris[(3S)-3,7-dimethyloctoxy]phenyl]ethenyl]phenyl]ethenyl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]stannane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tributyl-[10-tributylstannyl-7-[4-[(E)-2-[4-[(E)-2-[3,4,5-tris[(3S)-3,7-dimethyloctoxy]phenyl]ethenyl]phenyl]ethenyl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]stannane?
The IUPAC name of tributyl-[10-tributylstannyl-7-[4-[(E)-2-[4-[(E)-2-[3,4,5-tris[(3S)-3,7-dimethyloctoxy]phenyl]ethenyl]phenyl]ethenyl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]stannane (CID 177497025) is tributyl-[10-tributylstannyl-7-[4-[(E)-2-[4-[(E)-2-[3,4,5-tris[(3S)-3,7-dimethyloctoxy]phenyl]ethenyl]phenyl]ethenyl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]stannane.
What is the SMILES notation for tributyl-[10-tributylstannyl-7-[4-[(E)-2-[4-[(E)-2-[3,4,5-tris[(3S)-3,7-dimethyloctoxy]phenyl]ethenyl]phenyl]ethenyl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]stannane?
The canonical SMILES for tributyl-[10-tributylstannyl-7-[4-[(E)-2-[4-[(E)-2-[3,4,5-tris[(3S)-3,7-dimethyloctoxy]phenyl]ethenyl]phenyl]ethenyl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1cc2c(s1)c1sc([Sn](CCCC)(CCCC)CCCC)cc1n2-c1ccc(/C=C/c2ccc(/C=C/c3cc(OCC[C@@H](C)CCCC(C)C)c(OCC[C@@H](C)CCCC(C)C)c(OCC[C@@H](C)CCCC(C)C)c3)cc2)cc1.
What is the InChIKey of tributyl-[10-tributylstannyl-7-[4-[(E)-2-[4-[(E)-2-[3,4,5-tris[(3S)-3,7-dimethyloctoxy]phenyl]ethenyl]phenyl]ethenyl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]stannane?
The InChIKey is ZALXZKWIWBTAPW-SBTBDTOBSA-N. The full InChI is InChI=1S/C60H79NO3S2.6C4H9.2Sn/c1-43(2)13-10-16-46(7)31-36-62-56-41-52(42-57(63-37-32-47(8)17-11-14-44(3)4)58(56)64-38-33-48(9)18-12-15-45(5)6)26-25-50-21-19-49(20-22-50)23-24-51-27-29-53(30-28-51)61-54-34-39-65-59(54)60-55(61)35-40-66-60;6*1-3-4-2;;/h19-30,34-35,41-48H,10-18,31-33,36-38H2,1-9H3;6*1,3-4H2,2H3;;/b24-23+,26-25+;;;;;;;;/t46-,47-,48-;;;;;;;;/m0......../s1.
What are the key properties of tributyl-[10-tributylstannyl-7-[4-[(E)-2-[4-[(E)-2-[3,4,5-tris[(3S)-3,7-dimethyloctoxy]phenyl]ethenyl]phenyl]ethenyl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]stannane?
tributyl-[10-tributylstannyl-7-[4-[(E)-2-[4-[(E)-2-[3,4,5-tris[(3S)-3,7-dimethyloctoxy]phenyl]ethenyl]phenyl]ethenyl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]stannane has a molecular weight of 1506.55 g/mol, XLogP of 27.05, 49 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[10-tributylstannyl-7-[4-[(E)-2-[4-[(E)-2-[3,4,5-tris[(3S)-3,7-dimethyloctoxy]phenyl]ethenyl]phenyl]ethenyl]phenyl]-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]stannane is sourced from PubChem (CID 177497025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).