CID 136701673

C18H22PSe2 — CID 136701673

IUPAC—
SMILESCC(C[P+]([Se])([Se-])CC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22PSe2/c1-15(17-9-5-3-6-10-17)13-19(20,21)14-16(2)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3
InChIKeyKFIBTCQUSKGNIN-UHFFFAOYSA-N
MW427.27 g/mol
LogP4.78
Rot. Bonds6

About CID 136701673

CID 136701673 (PubChem CID 136701673) has the molecular formula C18H22PSe2 and a molecular weight of 427.27 g/mol.

Molecular Properties

Compound NameCID 136701673
PubChem CID136701673
Molecular FormulaC18H22PSe2
Molecular Weight427.27 g/mol
Exact Mass428.98
IUPAC Name—
SMILESCC(C[P+]([Se])([Se-])CC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22PSe2/c1-15(17-9-5-3-6-10-17)13-19(20,21)14-16(2)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3
InChIKeyKFIBTCQUSKGNIN-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.27
LogP ≤ 54.78
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

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CID 7054159
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CID 66072374
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Frequently Asked Questions

What is the IUPAC name of CID 136701673?
The IUPAC name of CID 136701673 (CID 136701673) is not available.
What is the SMILES notation for CID 136701673?
The canonical SMILES for CID 136701673 is CC(C[P+]([Se])([Se-])CC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of CID 136701673?
The InChIKey is KFIBTCQUSKGNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22PSe2/c1-15(17-9-5-3-6-10-17)13-19(20,21)14-16(2)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3.
What are the key properties of CID 136701673?
CID 136701673 has a molecular weight of 427.27 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136701673 is sourced from PubChem (CID 136701673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).