tributyl-[(E)-1,2-dinaphthalen-2-ylethenyl]stannane

C34H42Sn — CID 170459763

IUPACtributyl-[(E)-1,2-dinaphthalen-2-ylethenyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C22H15.3C4H9.Sn/c1-3-7-21-15-17(11-13-19(21)5-1)9-10-18-12-14-20-6-2-4-8-22(20)16-18;3*1-3-4-2;/h1-9,11-16H;3*1,3-4H2,2H3;
InChIKeyDSWCXDAKVQGWFR-UHFFFAOYSA-N
MW569.42 g/mol
LogP10.92
Rot. Bonds12

About tributyl-[(E)-1,2-dinaphthalen-2-ylethenyl]stannane

tributyl-[(E)-1,2-dinaphthalen-2-ylethenyl]stannane (PubChem CID 170459763) has the molecular formula C34H42Sn and a molecular weight of 569.42 g/mol. Its IUPAC name is tributyl-[(E)-1,2-dinaphthalen-2-ylethenyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-1,2-dinaphthalen-2-ylethenyl]stannane
PubChem CID170459763
Molecular FormulaC34H42Sn
Molecular Weight569.42 g/mol
Exact Mass570.23
IUPAC Nametributyl-[(E)-1,2-dinaphthalen-2-ylethenyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C22H15.3C4H9.Sn/c1-3-7-21-15-17(11-13-19(21)5-1)9-10-18-12-14-20-6-2-4-8-22(20)16-18;3*1-3-4-2;/h1-9,11-16H;3*1,3-4H2,2H3;
InChIKeyDSWCXDAKVQGWFR-UHFFFAOYSA-N
XLogP10.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.42
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-1,2-dinaphthalen-2-ylethenyl]stannane?
The IUPAC name of tributyl-[(E)-1,2-dinaphthalen-2-ylethenyl]stannane (CID 170459763) is tributyl-[(E)-1,2-dinaphthalen-2-ylethenyl]stannane.
What is the SMILES notation for tributyl-[(E)-1,2-dinaphthalen-2-ylethenyl]stannane?
The canonical SMILES for tributyl-[(E)-1,2-dinaphthalen-2-ylethenyl]stannane is CCCC[Sn](CCCC)(CCCC)/C(=C/c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of tributyl-[(E)-1,2-dinaphthalen-2-ylethenyl]stannane?
The InChIKey is DSWCXDAKVQGWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15.3C4H9.Sn/c1-3-7-21-15-17(11-13-19(21)5-1)9-10-18-12-14-20-6-2-4-8-22(20)16-18;3*1-3-4-2;/h1-9,11-16H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-1,2-dinaphthalen-2-ylethenyl]stannane?
tributyl-[(E)-1,2-dinaphthalen-2-ylethenyl]stannane has a molecular weight of 569.42 g/mol, XLogP of 10.92, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-1,2-dinaphthalen-2-ylethenyl]stannane is sourced from PubChem (CID 170459763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).