[2,6-bis[2,6-bis(dimethylamino)phenyl]phenyl]-chlorotin

C26H33ClN4Sn — CID 166437590

IUPAC[2,6-bis[2,6-bis(dimethylamino)phenyl]phenyl]-chlorotin
SMILESCN(C)c1cccc(N(C)C)c1-c1cccc(-c2c(N(C)C)cccc2N(C)C)c1[Sn]Cl
InChIInChI=1S/C26H33N4.ClH.Sn/c1-27(2)21-14-10-15-22(28(3)4)25(21)19-12-9-13-20(18-19)26-23(29(5)6)16-11-17-24(26)30(7)8;;/h9-17H,1-8H3;1H;/q;;+1/p-1
InChIKeyCYGXGMNSKKYFOE-UHFFFAOYSA-M
MW555.74 g/mol
LogP4.77
Rot. Bonds7

About [2,6-bis[2,6-bis(dimethylamino)phenyl]phenyl]-chlorotin

[2,6-bis[2,6-bis(dimethylamino)phenyl]phenyl]-chlorotin (PubChem CID 166437590) has the molecular formula C26H33ClN4Sn and a molecular weight of 555.74 g/mol. Its IUPAC name is [2,6-bis[2,6-bis(dimethylamino)phenyl]phenyl]-chlorotin.

Molecular Properties

Compound Name[2,6-bis[2,6-bis(dimethylamino)phenyl]phenyl]-chlorotin
PubChem CID166437590
Molecular FormulaC26H33ClN4Sn
Molecular Weight555.74 g/mol
Exact Mass556.14
IUPAC Name[2,6-bis[2,6-bis(dimethylamino)phenyl]phenyl]-chlorotin
SMILESCN(C)c1cccc(N(C)C)c1-c1cccc(-c2c(N(C)C)cccc2N(C)C)c1[Sn]Cl
InChIInChI=1S/C26H33N4.ClH.Sn/c1-27(2)21-14-10-15-22(28(3)4)25(21)19-12-9-13-20(18-19)26-23(29(5)6)16-11-17-24(26)30(7)8;;/h9-17H,1-8H3;1H;/q;;+1/p-1
InChIKeyCYGXGMNSKKYFOE-UHFFFAOYSA-M
XLogP4.77
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.74
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [2,6-bis[2,6-bis(dimethylamino)phenyl]phenyl]-chlorotin?
The IUPAC name of [2,6-bis[2,6-bis(dimethylamino)phenyl]phenyl]-chlorotin (CID 166437590) is [2,6-bis[2,6-bis(dimethylamino)phenyl]phenyl]-chlorotin.
What is the SMILES notation for [2,6-bis[2,6-bis(dimethylamino)phenyl]phenyl]-chlorotin?
The canonical SMILES for [2,6-bis[2,6-bis(dimethylamino)phenyl]phenyl]-chlorotin is CN(C)c1cccc(N(C)C)c1-c1cccc(-c2c(N(C)C)cccc2N(C)C)c1[Sn]Cl.
What is the InChIKey of [2,6-bis[2,6-bis(dimethylamino)phenyl]phenyl]-chlorotin?
The InChIKey is CYGXGMNSKKYFOE-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H33N4.ClH.Sn/c1-27(2)21-14-10-15-22(28(3)4)25(21)19-12-9-13-20(18-19)26-23(29(5)6)16-11-17-24(26)30(7)8;;/h9-17H,1-8H3;1H;/q;;+1/p-1.
What are the key properties of [2,6-bis[2,6-bis(dimethylamino)phenyl]phenyl]-chlorotin?
[2,6-bis[2,6-bis(dimethylamino)phenyl]phenyl]-chlorotin has a molecular weight of 555.74 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis[2,6-bis(dimethylamino)phenyl]phenyl]-chlorotin is sourced from PubChem (CID 166437590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).