CID 173268954

C25H19As — CID 173268954

IUPAC—
SMILES[As]C(c1ccccc1)(c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H19As/c26-25(21-14-6-2-7-15-21,22-16-8-3-9-17-22)24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-19H
InChIKeyGBCYALRKWIHKIQ-UHFFFAOYSA-N
MW394.35 g/mol
LogP5.81
Rot. Bonds4

About CID 173268954

CID 173268954 (PubChem CID 173268954) has the molecular formula C25H19As and a molecular weight of 394.35 g/mol.

Molecular Properties

Compound NameCID 173268954
PubChem CID173268954
Molecular FormulaC25H19As
Molecular Weight394.35 g/mol
Exact Mass394.07
IUPAC Name—
SMILES[As]C(c1ccccc1)(c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C25H19As/c26-25(21-14-6-2-7-15-21,22-16-8-3-9-17-22)24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-19H
InChIKeyGBCYALRKWIHKIQ-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.35
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[dichloro(phenyl)methyl]-2-(2-phenylphenyl)benzene
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1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
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1-(1,1,2,2,2-pentafluoroethyl)-2-phenylbenzene
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1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
CID 141427914
[(2,3-diphenylphenyl)-diphenylmethyl]phosphanium chloride
CID 160830813
2-phenyl-6-(2-phenylpropan-2-yl)phenol
CID 20572334
1-(3-chloropentan-3-yl)-2-phenylbenzene
CID 142599799
2-methyl-2-(2-phenylphenyl)propanenitrile
CID 151853688
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
1,2-diphenyl-3-(trichloromethyl)benzene
CID 175404490
1-tert-butyl-2-methyl-3-phenylbenzene
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CID 69011285
CID 69011285

Frequently Asked Questions

What is the IUPAC name of CID 173268954?
The IUPAC name of CID 173268954 (CID 173268954) is not available.
What is the SMILES notation for CID 173268954?
The canonical SMILES for CID 173268954 is [As]C(c1ccccc1)(c1ccccc1)c1ccccc1-c1ccccc1.
What is the InChIKey of CID 173268954?
The InChIKey is GBCYALRKWIHKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19As/c26-25(21-14-6-2-7-15-21,22-16-8-3-9-17-22)24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-19H.
What are the key properties of CID 173268954?
CID 173268954 has a molecular weight of 394.35 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173268954 is sourced from PubChem (CID 173268954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).