2,2,4,4,5,5-Hexaphenyl-1,3,2,4,5-dithiatrigermolane

C36H30Ge3S2 — CID 86124145

IUPAC—
SMILESc1ccc([Ge](S[Ge](S[Ge](c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H30Ge3S2/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32)40-39(35-27-15-5-16-28-35,36-29-17-6-18-30-36)41-38(33-23-11-3-12-24-33)34-25-13-4-14-26-34/h1-30H
InChIKeyXQNKKJNYNDBAOS-UHFFFAOYSA-N
MW744.60 g/mol
LogP5.32
Rot. Bonds10

About 2,2,4,4,5,5-Hexaphenyl-1,3,2,4,5-dithiatrigermolane

2,2,4,4,5,5-Hexaphenyl-1,3,2,4,5-dithiatrigermolane (PubChem CID 86124145) has the molecular formula C36H30Ge3S2 and a molecular weight of 744.60 g/mol.

Molecular Properties

Compound Name2,2,4,4,5,5-Hexaphenyl-1,3,2,4,5-dithiatrigermolane
PubChem CID86124145
Molecular FormulaC36H30Ge3S2
Molecular Weight744.60 g/mol
Exact Mass747.94
IUPAC Name—
SMILESc1ccc([Ge](S[Ge](S[Ge](c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H30Ge3S2/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32)40-39(35-27-15-5-16-28-35,36-29-17-6-18-30-36)41-38(33-23-11-3-12-24-33)34-25-13-4-14-26-34/h1-30H
InChIKeyXQNKKJNYNDBAOS-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.60
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,5,5-Hexaphenyl-1,3,2,4,5-dithiatrigermolane?
The IUPAC name of 2,2,4,4,5,5-Hexaphenyl-1,3,2,4,5-dithiatrigermolane (CID 86124145) is not available.
What is the SMILES notation for 2,2,4,4,5,5-Hexaphenyl-1,3,2,4,5-dithiatrigermolane?
The canonical SMILES for 2,2,4,4,5,5-Hexaphenyl-1,3,2,4,5-dithiatrigermolane is c1ccc([Ge](S[Ge](S[Ge](c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2,2,4,4,5,5-Hexaphenyl-1,3,2,4,5-dithiatrigermolane?
The InChIKey is XQNKKJNYNDBAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30Ge3S2/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32)40-39(35-27-15-5-16-28-35,36-29-17-6-18-30-36)41-38(33-23-11-3-12-24-33)34-25-13-4-14-26-34/h1-30H.
What are the key properties of 2,2,4,4,5,5-Hexaphenyl-1,3,2,4,5-dithiatrigermolane?
2,2,4,4,5,5-Hexaphenyl-1,3,2,4,5-dithiatrigermolane has a molecular weight of 744.60 g/mol, XLogP of 5.32, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,5,5-Hexaphenyl-1,3,2,4,5-dithiatrigermolane is sourced from PubChem (CID 86124145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).