2,5-bis(1-adamantyl)-1,3,4-selenadiphosphole

C22H30P2Se — CID 134912412

IUPAC2,5-bis(1-adamantyl)-1,3,4-selenadiphosphole
SMILESC1C2CC3CC1CC(c1ppc(C45CC6CC(CC(C6)C4)C5)[se]1)(C2)C3
InChIInChI=1S/C22H30P2Se/c1-13-2-15-3-14(1)8-21(7-13,9-15)19-23-24-20(25-19)22-10-16-4-17(11-22)6-18(5-16)12-22/h13-18H,1-12H2
InChIKeyHAENEWWFFSODID-UHFFFAOYSA-N
MW435.39 g/mol
LogP6.84
Rot. Bonds2

About 2,5-bis(1-adamantyl)-1,3,4-selenadiphosphole

2,5-bis(1-adamantyl)-1,3,4-selenadiphosphole (PubChem CID 134912412) has the molecular formula C22H30P2Se and a molecular weight of 435.39 g/mol. Its IUPAC name is 2,5-bis(1-adamantyl)-1,3,4-selenadiphosphole.

Molecular Properties

Compound Name2,5-bis(1-adamantyl)-1,3,4-selenadiphosphole
PubChem CID134912412
Molecular FormulaC22H30P2Se
Molecular Weight435.39 g/mol
Exact Mass436.10
IUPAC Name2,5-bis(1-adamantyl)-1,3,4-selenadiphosphole
SMILESC1C2CC3CC1CC(c1ppc(C45CC6CC(CC(C6)C4)C5)[se]1)(C2)C3
InChIInChI=1S/C22H30P2Se/c1-13-2-15-3-14(1)8-21(7-13,9-15)19-23-24-20(25-19)22-10-16-4-17(11-22)6-18(5-16)12-22/h13-18H,1-12H2
InChIKeyHAENEWWFFSODID-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.39
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 2,5-bis(1-adamantyl)-1,3,4-selenadiphosphole?
The IUPAC name of 2,5-bis(1-adamantyl)-1,3,4-selenadiphosphole (CID 134912412) is 2,5-bis(1-adamantyl)-1,3,4-selenadiphosphole.
What is the SMILES notation for 2,5-bis(1-adamantyl)-1,3,4-selenadiphosphole?
The canonical SMILES for 2,5-bis(1-adamantyl)-1,3,4-selenadiphosphole is C1C2CC3CC1CC(c1ppc(C45CC6CC(CC(C6)C4)C5)[se]1)(C2)C3.
What is the InChIKey of 2,5-bis(1-adamantyl)-1,3,4-selenadiphosphole?
The InChIKey is HAENEWWFFSODID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30P2Se/c1-13-2-15-3-14(1)8-21(7-13,9-15)19-23-24-20(25-19)22-10-16-4-17(11-22)6-18(5-16)12-22/h13-18H,1-12H2.
What are the key properties of 2,5-bis(1-adamantyl)-1,3,4-selenadiphosphole?
2,5-bis(1-adamantyl)-1,3,4-selenadiphosphole has a molecular weight of 435.39 g/mol, XLogP of 6.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(1-adamantyl)-1,3,4-selenadiphosphole is sourced from PubChem (CID 134912412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).