diphenyl-[(2,4,6-trimethylphenyl)phosphanylidenemethyl]phosphane

C22H22P2 — CID 177438065

IUPACdiphenyl-[(2,4,6-trimethylphenyl)phosphanylidenemethyl]phosphane
SMILESCc1cc(C)c(/P=C/P(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C22H22P2/c1-17-14-18(2)22(19(3)15-17)23-16-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16H,1-3H3
InChIKeyNBBFLSYLKKLITR-UHFFFAOYSA-N
MW348.37 g/mol
LogP5.08
Rot. Bonds4

About diphenyl-[(2,4,6-trimethylphenyl)phosphanylidenemethyl]phosphane

diphenyl-[(2,4,6-trimethylphenyl)phosphanylidenemethyl]phosphane (PubChem CID 177438065) has the molecular formula C22H22P2 and a molecular weight of 348.37 g/mol. Its IUPAC name is diphenyl-[(2,4,6-trimethylphenyl)phosphanylidenemethyl]phosphane.

Molecular Properties

Compound Namediphenyl-[(2,4,6-trimethylphenyl)phosphanylidenemethyl]phosphane
PubChem CID177438065
Molecular FormulaC22H22P2
Molecular Weight348.37 g/mol
Exact Mass348.12
IUPAC Namediphenyl-[(2,4,6-trimethylphenyl)phosphanylidenemethyl]phosphane
SMILESCc1cc(C)c(/P=C/P(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C22H22P2/c1-17-14-18(2)22(19(3)15-17)23-16-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16H,1-3H3
InChIKeyNBBFLSYLKKLITR-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.37
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diphenyl (2,4,6-trimethylphenyl) phosphite
CID 23454654
(2,4,6-trimethylphenyl)-(2,4,6-trimethylphenyl)phosphanylidenephosphane
CID 23413764
diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone
CID 161445922
diphenyl-(2,4,6-trimethylphenyl)sulfonylphosphane
CID 11003128
bis(2,4-dimethylphenyl)-phenylphosphane
CID 12046948
[phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride
CID 175227644
benzyl-phenyl-(2,4,6-trimethylphenyl)phosphane
CID 91019854
2-diphenylphosphanyl-2-methyl-N-(2,4,6-trimethylphenyl)propan-1-imine
CID 132595705
2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene-(2,4,6-trimethylphenyl)phosphane
CID 139044173
1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
CID 173107098
bis(2,4,6-trimethylphenyl)phosphanyl-phenylmethanol
CID 132512078
1-phenyl-2,4-bis(2,4,6-trimethylphenyl)bicyclo[1.1.0]butane
CID 15554646

Frequently Asked Questions

What is the IUPAC name of diphenyl-[(2,4,6-trimethylphenyl)phosphanylidenemethyl]phosphane?
The IUPAC name of diphenyl-[(2,4,6-trimethylphenyl)phosphanylidenemethyl]phosphane (CID 177438065) is diphenyl-[(2,4,6-trimethylphenyl)phosphanylidenemethyl]phosphane.
What is the SMILES notation for diphenyl-[(2,4,6-trimethylphenyl)phosphanylidenemethyl]phosphane?
The canonical SMILES for diphenyl-[(2,4,6-trimethylphenyl)phosphanylidenemethyl]phosphane is Cc1cc(C)c(/P=C/P(c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of diphenyl-[(2,4,6-trimethylphenyl)phosphanylidenemethyl]phosphane?
The InChIKey is NBBFLSYLKKLITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22P2/c1-17-14-18(2)22(19(3)15-17)23-16-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16H,1-3H3.
What are the key properties of diphenyl-[(2,4,6-trimethylphenyl)phosphanylidenemethyl]phosphane?
diphenyl-[(2,4,6-trimethylphenyl)phosphanylidenemethyl]phosphane has a molecular weight of 348.37 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(2,4,6-trimethylphenyl)phosphanylidenemethyl]phosphane is sourced from PubChem (CID 177438065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).