CID 16745118

C18H25NPSe2 — CID 16745118

IUPAC—
SMILESCCN(CC)CC.[Se]P(=[Se])(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10PSe2.C6H15N/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4-7(5-2)6-3/h1-10H;4-6H2,1-3H3
InChIKeySXBSSZRDHCILOK-UHFFFAOYSA-N
MW444.30 g/mol
LogP3.17
Rot. Bonds5

About CID 16745118

CID 16745118 (PubChem CID 16745118) has the molecular formula C18H25NPSe2 and a molecular weight of 444.30 g/mol.

Molecular Properties

Compound NameCID 16745118
PubChem CID16745118
Molecular FormulaC18H25NPSe2
Molecular Weight444.30 g/mol
Exact Mass446.01
IUPAC Name—
SMILESCCN(CC)CC.[Se]P(=[Se])(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10PSe2.C6H15N/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4-7(5-2)6-3/h1-10H;4-6H2,1-3H3
InChIKeySXBSSZRDHCILOK-UHFFFAOYSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 16745118?
The IUPAC name of CID 16745118 (CID 16745118) is not available.
What is the SMILES notation for CID 16745118?
The canonical SMILES for CID 16745118 is CCN(CC)CC.[Se]P(=[Se])(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 16745118?
The InChIKey is SXBSSZRDHCILOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10PSe2.C6H15N/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4-7(5-2)6-3/h1-10H;4-6H2,1-3H3.
What are the key properties of CID 16745118?
CID 16745118 has a molecular weight of 444.30 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16745118 is sourced from PubChem (CID 16745118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).