3,3,11,11-tetraphenyl-3,11-distannatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene

C40H36Sn2 — CID 177448314

IUPAC3,3,11,11-tetraphenyl-3,11-distannatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene
SMILESc1ccc([Sn]2(c3ccccc3)Cc3cccc(c3)C[Sn](c3ccccc3)(c3ccccc3)Cc3cccc(c3)C2)cc1
InChIInChI=1S/2C8H8.4C6H5.2Sn/c2*1-7-4-3-5-8(2)6-7;4*1-2-4-6-5-3-1;;/h2*3-6H,1-2H2;4*1-5H;;
InChIKeyNTDXOZDCZCAHRG-UHFFFAOYSA-N
MW754.15 g/mol
LogP6.25
Rot. Bonds4

About 3,3,11,11-tetraphenyl-3,11-distannatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene

3,3,11,11-tetraphenyl-3,11-distannatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene (PubChem CID 177448314) has the molecular formula C40H36Sn2 and a molecular weight of 754.15 g/mol. Its IUPAC name is 3,3,11,11-tetraphenyl-3,11-distannatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene.

Molecular Properties

Compound Name3,3,11,11-tetraphenyl-3,11-distannatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene
PubChem CID177448314
Molecular FormulaC40H36Sn2
Molecular Weight754.15 g/mol
Exact Mass756.09
IUPAC Name3,3,11,11-tetraphenyl-3,11-distannatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene
SMILESc1ccc([Sn]2(c3ccccc3)Cc3cccc(c3)C[Sn](c3ccccc3)(c3ccccc3)Cc3cccc(c3)C2)cc1
InChIInChI=1S/2C8H8.4C6H5.2Sn/c2*1-7-4-3-5-8(2)6-7;4*1-2-4-6-5-3-1;;/h2*3-6H,1-2H2;4*1-5H;;
InChIKeyNTDXOZDCZCAHRG-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.15
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3,11,11-tetraphenyl-3,11-distannatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene?
The IUPAC name of 3,3,11,11-tetraphenyl-3,11-distannatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene (CID 177448314) is 3,3,11,11-tetraphenyl-3,11-distannatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene.
What is the SMILES notation for 3,3,11,11-tetraphenyl-3,11-distannatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene?
The canonical SMILES for 3,3,11,11-tetraphenyl-3,11-distannatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene is c1ccc([Sn]2(c3ccccc3)Cc3cccc(c3)C[Sn](c3ccccc3)(c3ccccc3)Cc3cccc(c3)C2)cc1.
What is the InChIKey of 3,3,11,11-tetraphenyl-3,11-distannatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene?
The InChIKey is NTDXOZDCZCAHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8.4C6H5.2Sn/c2*1-7-4-3-5-8(2)6-7;4*1-2-4-6-5-3-1;;/h2*3-6H,1-2H2;4*1-5H;;.
What are the key properties of 3,3,11,11-tetraphenyl-3,11-distannatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene?
3,3,11,11-tetraphenyl-3,11-distannatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene has a molecular weight of 754.15 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,11,11-tetraphenyl-3,11-distannatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene is sourced from PubChem (CID 177448314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).