(Diphenylmethylidene)(2,4,6-trimethylphenyl)-lambda~5~-phosphanone

C22H21OP — CID 71327088

IUPAC—
SMILESCc1cc(C)c([P+]([O-])=C(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C22H21OP/c1-16-14-17(2)21(18(3)15-16)24(23)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3
InChIKeyJAFOLXCKUCPDNB-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.26
Rot. Bonds3

About (Diphenylmethylidene)(2,4,6-trimethylphenyl)-lambda~5~-phosphanone

(Diphenylmethylidene)(2,4,6-trimethylphenyl)-lambda~5~-phosphanone (PubChem CID 71327088) has the molecular formula C22H21OP and a molecular weight of 332.38 g/mol.

Molecular Properties

Compound Name(Diphenylmethylidene)(2,4,6-trimethylphenyl)-lambda~5~-phosphanone
PubChem CID71327088
Molecular FormulaC22H21OP
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name—
SMILESCc1cc(C)c([P+]([O-])=C(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C22H21OP/c1-16-14-17(2)21(18(3)15-16)24(23)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3
InChIKeyJAFOLXCKUCPDNB-UHFFFAOYSA-N
XLogP4.26
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Diphenylmethylidene)(2,4,6-trimethylphenyl)-lambda~5~-phosphanone?
The IUPAC name of (Diphenylmethylidene)(2,4,6-trimethylphenyl)-lambda~5~-phosphanone (CID 71327088) is not available.
What is the SMILES notation for (Diphenylmethylidene)(2,4,6-trimethylphenyl)-lambda~5~-phosphanone?
The canonical SMILES for (Diphenylmethylidene)(2,4,6-trimethylphenyl)-lambda~5~-phosphanone is Cc1cc(C)c([P+]([O-])=C(c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of (Diphenylmethylidene)(2,4,6-trimethylphenyl)-lambda~5~-phosphanone?
The InChIKey is JAFOLXCKUCPDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21OP/c1-16-14-17(2)21(18(3)15-16)24(23)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3.
What are the key properties of (Diphenylmethylidene)(2,4,6-trimethylphenyl)-lambda~5~-phosphanone?
(Diphenylmethylidene)(2,4,6-trimethylphenyl)-lambda~5~-phosphanone has a molecular weight of 332.38 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Diphenylmethylidene)(2,4,6-trimethylphenyl)-lambda~5~-phosphanone is sourced from PubChem (CID 71327088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).