CID 71417320

C27H30O2Sn2 — CID 71417320

IUPAC—
SMILESO.O.c1ccc([Sn](CCC[Sn](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C6H5.C3H6.2H2O.2Sn/c4*1-2-4-6-5-3-1;1-3-2;;;;/h4*1-5H;1-3H2;2*1H2;;
InChIKeySVIDNKGMGHANIS-UHFFFAOYSA-N
MW623.96 g/mol
LogP2.35
Rot. Bonds8

About CID 71417320

CID 71417320 (PubChem CID 71417320) has the molecular formula C27H30O2Sn2 and a molecular weight of 623.96 g/mol.

Molecular Properties

Compound NameCID 71417320
PubChem CID71417320
Molecular FormulaC27H30O2Sn2
Molecular Weight623.96 g/mol
Exact Mass626.03
IUPAC Name—
SMILESO.O.c1ccc([Sn](CCC[Sn](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C6H5.C3H6.2H2O.2Sn/c4*1-2-4-6-5-3-1;1-3-2;;;;/h4*1-5H;1-3H2;2*1H2;;
InChIKeySVIDNKGMGHANIS-UHFFFAOYSA-N
XLogP2.35
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.96
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 71417320?
The IUPAC name of CID 71417320 (CID 71417320) is not available.
What is the SMILES notation for CID 71417320?
The canonical SMILES for CID 71417320 is O.O.c1ccc([Sn](CCC[Sn](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 71417320?
The InChIKey is SVIDNKGMGHANIS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H5.C3H6.2H2O.2Sn/c4*1-2-4-6-5-3-1;1-3-2;;;;/h4*1-5H;1-3H2;2*1H2;;.
What are the key properties of CID 71417320?
CID 71417320 has a molecular weight of 623.96 g/mol, XLogP of 2.35, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71417320 is sourced from PubChem (CID 71417320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).