tris(2-methyl-2-phenylpropyl)-(1,2,4-triazol-1-yl)stannane

C32H41N3Sn — CID 71392869

IUPACtris(2-methyl-2-phenylpropyl)-(1,2,4-triazol-1-yl)stannane
SMILESCC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)n1cncn1)c1ccccc1
InChIInChI=1S/3C10H13.C2H2N3.Sn/c3*1-10(2,3)9-7-5-4-6-8-9;1-3-2-5-4-1;/h3*4-8H,1H2,2-3H3;1-2H;/q;;;-1;+1
InChIKeyHVOJUXALJUHBFV-UHFFFAOYSA-N
MW586.41 g/mol
LogP8.01
Rot. Bonds10

About tris(2-methyl-2-phenylpropyl)-(1,2,4-triazol-1-yl)stannane

tris(2-methyl-2-phenylpropyl)-(1,2,4-triazol-1-yl)stannane (PubChem CID 71392869) has the molecular formula C32H41N3Sn and a molecular weight of 586.41 g/mol. Its IUPAC name is tris(2-methyl-2-phenylpropyl)-(1,2,4-triazol-1-yl)stannane.

Molecular Properties

Compound Nametris(2-methyl-2-phenylpropyl)-(1,2,4-triazol-1-yl)stannane
PubChem CID71392869
Molecular FormulaC32H41N3Sn
Molecular Weight586.41 g/mol
Exact Mass587.23
IUPAC Nametris(2-methyl-2-phenylpropyl)-(1,2,4-triazol-1-yl)stannane
SMILESCC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)n1cncn1)c1ccccc1
InChIInChI=1S/3C10H13.C2H2N3.Sn/c3*1-10(2,3)9-7-5-4-6-8-9;1-3-2-5-4-1;/h3*4-8H,1H2,2-3H3;1-2H;/q;;;-1;+1
InChIKeyHVOJUXALJUHBFV-UHFFFAOYSA-N
XLogP8.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.41
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tris(2-methyl-2-phenylpropyl)-(1,2,4-triazol-1-yl)stannane?
The IUPAC name of tris(2-methyl-2-phenylpropyl)-(1,2,4-triazol-1-yl)stannane (CID 71392869) is tris(2-methyl-2-phenylpropyl)-(1,2,4-triazol-1-yl)stannane.
What is the SMILES notation for tris(2-methyl-2-phenylpropyl)-(1,2,4-triazol-1-yl)stannane?
The canonical SMILES for tris(2-methyl-2-phenylpropyl)-(1,2,4-triazol-1-yl)stannane is CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)n1cncn1)c1ccccc1.
What is the InChIKey of tris(2-methyl-2-phenylpropyl)-(1,2,4-triazol-1-yl)stannane?
The InChIKey is HVOJUXALJUHBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H13.C2H2N3.Sn/c3*1-10(2,3)9-7-5-4-6-8-9;1-3-2-5-4-1;/h3*4-8H,1H2,2-3H3;1-2H;/q;;;-1;+1.
What are the key properties of tris(2-methyl-2-phenylpropyl)-(1,2,4-triazol-1-yl)stannane?
tris(2-methyl-2-phenylpropyl)-(1,2,4-triazol-1-yl)stannane has a molecular weight of 586.41 g/mol, XLogP of 8.01, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methyl-2-phenylpropyl)-(1,2,4-triazol-1-yl)stannane is sourced from PubChem (CID 71392869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).