bis(2-methyl-2-phenylpropyl)-phenylstannanylium

C26H31Sn+ — CID 23046011

IUPACbis(2-methyl-2-phenylpropyl)-phenylstannanylium
SMILESCC(C)(C[Sn+](CC(C)(C)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/2C10H13.C6H5.Sn/c2*1-10(2,3)9-7-5-4-6-8-9;1-2-4-6-5-3-1;/h2*4-8H,1H2,2-3H3;1-5H;/q;;;+1
InChIKeyFFNBGCNKCTXMIY-UHFFFAOYSA-N
MW462.25 g/mol
LogP6.34
Rot. Bonds7

About bis(2-methyl-2-phenylpropyl)-phenylstannanylium

bis(2-methyl-2-phenylpropyl)-phenylstannanylium (PubChem CID 23046011) has the molecular formula C26H31Sn+ and a molecular weight of 462.25 g/mol. Its IUPAC name is bis(2-methyl-2-phenylpropyl)-phenylstannanylium.

Molecular Properties

Compound Namebis(2-methyl-2-phenylpropyl)-phenylstannanylium
PubChem CID23046011
Molecular FormulaC26H31Sn+
Molecular Weight462.25 g/mol
Exact Mass463.14
IUPAC Namebis(2-methyl-2-phenylpropyl)-phenylstannanylium
SMILESCC(C)(C[Sn+](CC(C)(C)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/2C10H13.C6H5.Sn/c2*1-10(2,3)9-7-5-4-6-8-9;1-2-4-6-5-3-1;/h2*4-8H,1H2,2-3H3;1-5H;/q;;;+1
InChIKeyFFNBGCNKCTXMIY-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.25
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-2-phenylpropyl)-phenylstannanylium?
The IUPAC name of bis(2-methyl-2-phenylpropyl)-phenylstannanylium (CID 23046011) is bis(2-methyl-2-phenylpropyl)-phenylstannanylium.
What is the SMILES notation for bis(2-methyl-2-phenylpropyl)-phenylstannanylium?
The canonical SMILES for bis(2-methyl-2-phenylpropyl)-phenylstannanylium is CC(C)(C[Sn+](CC(C)(C)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of bis(2-methyl-2-phenylpropyl)-phenylstannanylium?
The InChIKey is FFNBGCNKCTXMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13.C6H5.Sn/c2*1-10(2,3)9-7-5-4-6-8-9;1-2-4-6-5-3-1;/h2*4-8H,1H2,2-3H3;1-5H;/q;;;+1.
What are the key properties of bis(2-methyl-2-phenylpropyl)-phenylstannanylium?
bis(2-methyl-2-phenylpropyl)-phenylstannanylium has a molecular weight of 462.25 g/mol, XLogP of 6.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-2-phenylpropyl)-phenylstannanylium is sourced from PubChem (CID 23046011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).