8,9,10-triphenyl-4,5,6,7-tetrahydrotriarsecine

C25H23As3 — CID 173237782

IUPAC8,9,10-triphenyl-4,5,6,7-tetrahydrotriarsecine
SMILESc1ccc(C2=C(c3ccccc3)/C(c3ccccc3)=[As]\[As]=[As]\CCCC2)cc1
InChIInChI=1S/C25H23As3/c1-4-12-20(13-5-1)23-18-10-11-19-26-28-27-25(22-16-8-3-9-17-22)24(23)21-14-6-2-7-15-21/h1-9,12-17H,10-11,18-19H2
InChIKeyOUBRCUJUQLHKNU-UHFFFAOYSA-N
MW548.23 g/mol
LogP5.36
Rot. Bonds3

About 8,9,10-triphenyl-4,5,6,7-tetrahydrotriarsecine

8,9,10-triphenyl-4,5,6,7-tetrahydrotriarsecine (PubChem CID 173237782) has the molecular formula C25H23As3 and a molecular weight of 548.23 g/mol. Its IUPAC name is 8,9,10-triphenyl-4,5,6,7-tetrahydrotriarsecine.

Molecular Properties

Compound Name8,9,10-triphenyl-4,5,6,7-tetrahydrotriarsecine
PubChem CID173237782
Molecular FormulaC25H23As3
Molecular Weight548.23 g/mol
Exact Mass547.94
IUPAC Name8,9,10-triphenyl-4,5,6,7-tetrahydrotriarsecine
SMILESc1ccc(C2=C(c3ccccc3)/C(c3ccccc3)=[As]\[As]=[As]\CCCC2)cc1
InChIInChI=1S/C25H23As3/c1-4-12-20(13-5-1)23-18-10-11-19-26-28-27-25(22-16-8-3-9-17-22)24(23)21-14-6-2-7-15-21/h1-9,12-17H,10-11,18-19H2
InChIKeyOUBRCUJUQLHKNU-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.23
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,9,10-triphenyl-4,5,6,7-tetrahydrotriarsecine?
The IUPAC name of 8,9,10-triphenyl-4,5,6,7-tetrahydrotriarsecine (CID 173237782) is 8,9,10-triphenyl-4,5,6,7-tetrahydrotriarsecine.
What is the SMILES notation for 8,9,10-triphenyl-4,5,6,7-tetrahydrotriarsecine?
The canonical SMILES for 8,9,10-triphenyl-4,5,6,7-tetrahydrotriarsecine is c1ccc(C2=C(c3ccccc3)/C(c3ccccc3)=[As]\[As]=[As]\CCCC2)cc1.
What is the InChIKey of 8,9,10-triphenyl-4,5,6,7-tetrahydrotriarsecine?
The InChIKey is OUBRCUJUQLHKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23As3/c1-4-12-20(13-5-1)23-18-10-11-19-26-28-27-25(22-16-8-3-9-17-22)24(23)21-14-6-2-7-15-21/h1-9,12-17H,10-11,18-19H2.
What are the key properties of 8,9,10-triphenyl-4,5,6,7-tetrahydrotriarsecine?
8,9,10-triphenyl-4,5,6,7-tetrahydrotriarsecine has a molecular weight of 548.23 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,10-triphenyl-4,5,6,7-tetrahydrotriarsecine is sourced from PubChem (CID 173237782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).