[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane

C21H20O2Sn — CID 174814552

IUPAC[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
SMILESCOc1ccc(C([SnH])(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H19O2.Sn.H/c1-22-19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)18-10-14-20(23-2)15-11-18;;/h3-15H,1-2H3;;
InChIKeyTUXRDBXJDZHDNU-UHFFFAOYSA-N
MW423.10 g/mol
LogP3.90
Rot. Bonds5

About [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane

[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane (PubChem CID 174814552) has the molecular formula C21H20O2Sn and a molecular weight of 423.10 g/mol. Its IUPAC name is [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane.

Molecular Properties

Compound Name[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
PubChem CID174814552
Molecular FormulaC21H20O2Sn
Molecular Weight423.10 g/mol
Exact Mass424.05
IUPAC Name[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
SMILESCOc1ccc(C([SnH])(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H19O2.Sn.H/c1-22-19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)18-10-14-20(23-2)15-11-18;;/h3-15H,1-2H3;;
InChIKeyTUXRDBXJDZHDNU-UHFFFAOYSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.10
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane?
The IUPAC name of [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane (CID 174814552) is [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane.
What is the SMILES notation for [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane?
The canonical SMILES for [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane is COc1ccc(C([SnH])(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane?
The InChIKey is TUXRDBXJDZHDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19O2.Sn.H/c1-22-19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)18-10-14-20(23-2)15-11-18;;/h3-15H,1-2H3;;.
What are the key properties of [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane?
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane has a molecular weight of 423.10 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane is sourced from PubChem (CID 174814552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).