5,5,5-triphenyl-3-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphole

C29H28NOP — CID 134885141

IUPAC5,5,5-triphenyl-3-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphole
SMILESCc1cc(C)c(C2=NOP(c3ccccc3)(c3ccccc3)(c3ccccc3)C2)c(C)c1
InChIInChI=1S/C29H28NOP/c1-22-19-23(2)29(24(3)20-22)28-21-32(31-30-28,25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-20H,21H2,1-3H3
InChIKeyOLSUGDVNRKPWLJ-UHFFFAOYSA-N
MW437.52 g/mol
LogP5.79
Rot. Bonds4

About 5,5,5-triphenyl-3-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphole

5,5,5-triphenyl-3-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphole (PubChem CID 134885141) has the molecular formula C29H28NOP and a molecular weight of 437.52 g/mol. Its IUPAC name is 5,5,5-triphenyl-3-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphole.

Molecular Properties

Compound Name5,5,5-triphenyl-3-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphole
PubChem CID134885141
Molecular FormulaC29H28NOP
Molecular Weight437.52 g/mol
Exact Mass437.19
IUPAC Name5,5,5-triphenyl-3-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphole
SMILESCc1cc(C)c(C2=NOP(c3ccccc3)(c3ccccc3)(c3ccccc3)C2)c(C)c1
InChIInChI=1S/C29H28NOP/c1-22-19-23(2)29(24(3)20-22)28-21-32(31-30-28,25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-20H,21H2,1-3H3
InChIKeyOLSUGDVNRKPWLJ-UHFFFAOYSA-N
XLogP5.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.52
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-(1-phenanthren-3-ylethylidene)hydroxylamine
CID 5354493
(NE)-N-(1-phenanthren-3-ylethylidene)hydroxylamine
CID 9561058
2-Acetylphenanthrene oxime
CID 9562560
(E)-N-diphenylphosphoryl-1-naphthalen-2-ylethanimine
CID 12937091
(E)-N-bis(3,5-dimethylphenyl)phosphoryloxy-2,3-dihydroinden-1-imine
CID 153522000
(E)-2-[2-[(E)-2-(4-fluorophenyl)ethenyl]naphthalen-1-yl]-N-methoxy-3-methylcyclohex-2-en-1-imine
CID 141535247
2-[2-[2-(4-fluorophenyl)ethenyl]naphthalen-1-yl]-N-methoxy-3-methylcyclohex-2-en-1-imine
CID 175064706
CID 223829
CID 223829
3,5,5,5-tetraphenyl-4H-1,2,5lambda5-oxazaphosphole
CID 12555866
(Z)-N-diphenylphosphoryl-1-naphthalen-1-ylethanimine
CID 20627123
p-Tolylphenylketoxim
CID 129641768
Diphenyl-methylphenylnitrone
CID 129814942

Frequently Asked Questions

What is the IUPAC name of 5,5,5-triphenyl-3-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphole?
The IUPAC name of 5,5,5-triphenyl-3-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphole (CID 134885141) is 5,5,5-triphenyl-3-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphole.
What is the SMILES notation for 5,5,5-triphenyl-3-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphole?
The canonical SMILES for 5,5,5-triphenyl-3-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphole is Cc1cc(C)c(C2=NOP(c3ccccc3)(c3ccccc3)(c3ccccc3)C2)c(C)c1.
What is the InChIKey of 5,5,5-triphenyl-3-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphole?
The InChIKey is OLSUGDVNRKPWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28NOP/c1-22-19-23(2)29(24(3)20-22)28-21-32(31-30-28,25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-20H,21H2,1-3H3.
What are the key properties of 5,5,5-triphenyl-3-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphole?
5,5,5-triphenyl-3-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphole has a molecular weight of 437.52 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-triphenyl-3-(2,4,6-trimethylphenyl)-4H-1,2,5λ5-oxazaphosphole is sourced from PubChem (CID 134885141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).