CID 87948921

C18H15AsP — CID 87948921

IUPAC—
SMILES[As].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.As/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;
InChIKeyKNXQVZLUNMHPOQ-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.06
Rot. Bonds3

About CID 87948921

CID 87948921 (PubChem CID 87948921) has the molecular formula C18H15AsP and a molecular weight of 337.21 g/mol.

Molecular Properties

Compound NameCID 87948921
PubChem CID87948921
Molecular FormulaC18H15AsP
Molecular Weight337.21 g/mol
Exact Mass337.01
IUPAC Name—
SMILES[As].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.As/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;
InChIKeyKNXQVZLUNMHPOQ-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenylphosphane
CID 139056248
tris(triphenylphosphane);hydrobromide
CID 172722268
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);trihydrochloride
CID 173282987
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
triphenylphosphane;octahydrochloride
CID 172751742
platinum;triphenylphosphane
CID 159264630

Frequently Asked Questions

What is the IUPAC name of CID 87948921?
The IUPAC name of CID 87948921 (CID 87948921) is not available.
What is the SMILES notation for CID 87948921?
The canonical SMILES for CID 87948921 is [As].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 87948921?
The InChIKey is KNXQVZLUNMHPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.As/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;.
What are the key properties of CID 87948921?
CID 87948921 has a molecular weight of 337.21 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87948921 is sourced from PubChem (CID 87948921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).