1-bis(4-phenylphenyl)arsoryl-4-phenylbenzene

C36H27AsO — CID 18962770

IUPAC1-bis(4-phenylphenyl)arsoryl-4-phenylbenzene
SMILESO=[As](c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C36H27AsO/c38-37(34-22-16-31(17-23-34)28-10-4-1-5-11-28,35-24-18-32(19-25-35)29-12-6-2-7-13-29)36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27H
InChIKeyCOIBFKKEATWGSO-UHFFFAOYSA-N
MW550.53 g/mol
LogP7.09
Rot. Bonds6

About 1-bis(4-phenylphenyl)arsoryl-4-phenylbenzene

1-bis(4-phenylphenyl)arsoryl-4-phenylbenzene (PubChem CID 18962770) has the molecular formula C36H27AsO and a molecular weight of 550.53 g/mol. Its IUPAC name is 1-bis(4-phenylphenyl)arsoryl-4-phenylbenzene.

Molecular Properties

Compound Name1-bis(4-phenylphenyl)arsoryl-4-phenylbenzene
PubChem CID18962770
Molecular FormulaC36H27AsO
Molecular Weight550.53 g/mol
Exact Mass550.13
IUPAC Name1-bis(4-phenylphenyl)arsoryl-4-phenylbenzene
SMILESO=[As](c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C36H27AsO/c38-37(34-22-16-31(17-23-34)28-10-4-1-5-11-28,35-24-18-32(19-25-35)29-12-6-2-7-13-29)36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27H
InChIKeyCOIBFKKEATWGSO-UHFFFAOYSA-N
XLogP7.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.53
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bis(4-phenylphenyl)arsoryl-4-phenylbenzene?
The IUPAC name of 1-bis(4-phenylphenyl)arsoryl-4-phenylbenzene (CID 18962770) is 1-bis(4-phenylphenyl)arsoryl-4-phenylbenzene.
What is the SMILES notation for 1-bis(4-phenylphenyl)arsoryl-4-phenylbenzene?
The canonical SMILES for 1-bis(4-phenylphenyl)arsoryl-4-phenylbenzene is O=[As](c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-bis(4-phenylphenyl)arsoryl-4-phenylbenzene?
The InChIKey is COIBFKKEATWGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27AsO/c38-37(34-22-16-31(17-23-34)28-10-4-1-5-11-28,35-24-18-32(19-25-35)29-12-6-2-7-13-29)36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27H.
What are the key properties of 1-bis(4-phenylphenyl)arsoryl-4-phenylbenzene?
1-bis(4-phenylphenyl)arsoryl-4-phenylbenzene has a molecular weight of 550.53 g/mol, XLogP of 7.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(4-phenylphenyl)arsoryl-4-phenylbenzene is sourced from PubChem (CID 18962770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).