dimethyl-phenyl-[(triphenyl-lambda5-phosphanylidene)methylidene]-lambda5-phosphane

C27H26P2 — CID 13349486

IUPACdimethyl-phenyl-[(triphenyl-lambda5-phosphanylidene)methylidene]-lambda5-phosphane
SMILESCP(C)(=C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26P2/c1-28(2,24-15-7-3-8-16-24)23-29(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22H,1-2H3
InChIKeyUFFNJGMIGODYOV-UHFFFAOYSA-N
MW412.45 g/mol
LogP5.22
Rot. Bonds4

About dimethyl-phenyl-[(triphenyl-lambda5-phosphanylidene)methylidene]-lambda5-phosphane

dimethyl-phenyl-[(triphenyl-lambda5-phosphanylidene)methylidene]-lambda5-phosphane (PubChem CID 13349486) has the molecular formula C27H26P2 and a molecular weight of 412.45 g/mol. Its IUPAC name is dimethyl-phenyl-[(triphenyl-lambda5-phosphanylidene)methylidene]-lambda5-phosphane.

Molecular Properties

Compound Namedimethyl-phenyl-[(triphenyl-lambda5-phosphanylidene)methylidene]-lambda5-phosphane
PubChem CID13349486
Molecular FormulaC27H26P2
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Namedimethyl-phenyl-[(triphenyl-lambda5-phosphanylidene)methylidene]-lambda5-phosphane
SMILESCP(C)(=C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26P2/c1-28(2,24-15-7-3-8-16-24)23-29(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22H,1-2H3
InChIKeyUFFNJGMIGODYOV-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-phenyl-[(triphenyl-lambda5-phosphanylidene)methylidene]-lambda5-phosphane?
The IUPAC name of dimethyl-phenyl-[(triphenyl-lambda5-phosphanylidene)methylidene]-lambda5-phosphane (CID 13349486) is dimethyl-phenyl-[(triphenyl-lambda5-phosphanylidene)methylidene]-lambda5-phosphane.
What is the SMILES notation for dimethyl-phenyl-[(triphenyl-lambda5-phosphanylidene)methylidene]-lambda5-phosphane?
The canonical SMILES for dimethyl-phenyl-[(triphenyl-lambda5-phosphanylidene)methylidene]-lambda5-phosphane is CP(C)(=C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of dimethyl-phenyl-[(triphenyl-lambda5-phosphanylidene)methylidene]-lambda5-phosphane?
The InChIKey is UFFNJGMIGODYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26P2/c1-28(2,24-15-7-3-8-16-24)23-29(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22H,1-2H3.
What are the key properties of dimethyl-phenyl-[(triphenyl-lambda5-phosphanylidene)methylidene]-lambda5-phosphane?
dimethyl-phenyl-[(triphenyl-lambda5-phosphanylidene)methylidene]-lambda5-phosphane has a molecular weight of 412.45 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[(triphenyl-lambda5-phosphanylidene)methylidene]-lambda5-phosphane is sourced from PubChem (CID 13349486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).