(2,6-ditert-butylphenyl)-triphenylstannane

C32H36Sn — CID 177391398

IUPAC(2,6-ditert-butylphenyl)-triphenylstannane
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H21.3C6H5.Sn/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;3*1-2-4-6-5-3-1;/h7-9H,1-6H3;3*1-5H;
InChIKeyRZUAEUZFSMVJCK-UHFFFAOYSA-N
MW539.35 g/mol
LogP5.66
Rot. Bonds4

About (2,6-ditert-butylphenyl)-triphenylstannane

(2,6-ditert-butylphenyl)-triphenylstannane (PubChem CID 177391398) has the molecular formula C32H36Sn and a molecular weight of 539.35 g/mol. Its IUPAC name is (2,6-ditert-butylphenyl)-triphenylstannane.

Molecular Properties

Compound Name(2,6-ditert-butylphenyl)-triphenylstannane
PubChem CID177391398
Molecular FormulaC32H36Sn
Molecular Weight539.35 g/mol
Exact Mass540.18
IUPAC Name(2,6-ditert-butylphenyl)-triphenylstannane
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H21.3C6H5.Sn/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;3*1-2-4-6-5-3-1;/h7-9H,1-6H3;3*1-5H;
InChIKeyRZUAEUZFSMVJCK-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.35
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2,6-ditert-butylphenyl)-triphenylstannane?
The IUPAC name of (2,6-ditert-butylphenyl)-triphenylstannane (CID 177391398) is (2,6-ditert-butylphenyl)-triphenylstannane.
What is the SMILES notation for (2,6-ditert-butylphenyl)-triphenylstannane?
The canonical SMILES for (2,6-ditert-butylphenyl)-triphenylstannane is CC(C)(C)c1cccc(C(C)(C)C)c1[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,6-ditert-butylphenyl)-triphenylstannane?
The InChIKey is RZUAEUZFSMVJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21.3C6H5.Sn/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;3*1-2-4-6-5-3-1;/h7-9H,1-6H3;3*1-5H;.
What are the key properties of (2,6-ditert-butylphenyl)-triphenylstannane?
(2,6-ditert-butylphenyl)-triphenylstannane has a molecular weight of 539.35 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-ditert-butylphenyl)-triphenylstannane is sourced from PubChem (CID 177391398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).