bis(3,5-dimethylphenyl) naphthalen-2-yl phosphate

C26H25O4P — CID 139980297

IUPACbis(3,5-dimethylphenyl) naphthalen-2-yl phosphate
SMILESCc1cc(C)cc(OP(=O)(Oc2cc(C)cc(C)c2)Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C26H25O4P/c1-18-11-19(2)14-25(13-18)29-31(27,30-26-15-20(3)12-21(4)16-26)28-24-10-9-22-7-5-6-8-23(22)17-24/h5-17H,1-4H3
InChIKeyYGGGLYIWBKYFNT-UHFFFAOYSA-N
MW432.46 g/mol
LogP7.72
Rot. Bonds6

About bis(3,5-dimethylphenyl) naphthalen-2-yl phosphate

bis(3,5-dimethylphenyl) naphthalen-2-yl phosphate (PubChem CID 139980297) has the molecular formula C26H25O4P and a molecular weight of 432.46 g/mol. Its IUPAC name is bis(3,5-dimethylphenyl) naphthalen-2-yl phosphate.

Molecular Properties

Compound Namebis(3,5-dimethylphenyl) naphthalen-2-yl phosphate
PubChem CID139980297
Molecular FormulaC26H25O4P
Molecular Weight432.46 g/mol
Exact Mass432.15
IUPAC Namebis(3,5-dimethylphenyl) naphthalen-2-yl phosphate
SMILESCc1cc(C)cc(OP(=O)(Oc2cc(C)cc(C)c2)Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C26H25O4P/c1-18-11-19(2)14-25(13-18)29-31(27,30-26-15-20(3)12-21(4)16-26)28-24-10-9-22-7-5-6-8-23(22)17-24/h5-17H,1-4H3
InChIKeyYGGGLYIWBKYFNT-UHFFFAOYSA-N
XLogP7.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.46
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethylphenyl) naphthalen-2-yl (4-propylphenyl) phosphate
CID 139980250
bis(4-tert-butylphenyl) naphthalen-2-yl phosphate
CID 139980260
(2,4-dimethylphenyl) (4-methylphenyl) naphthalen-2-yl phosphate
CID 139980273
(4-methylphenyl) naphthalen-2-yl (4-propylphenyl) phosphate
CID 139980315
bis(3-methylphenyl) (4-methylphenyl) phosphate;(3-methylphenyl) bis(4-methylphenyl) phosphate;tris(3-methylphenyl) phosphate;tris(4-methylphenyl) phosphate
CID 44630431
naphthalene;bis(1,3,5-trimethylbenzene)
CID 158615214
(3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate
CID 139980288
(4-ethylphenyl) naphthalen-1-yl naphthalen-2-yl phosphate
CID 139980305
phosphane;toluene;tris(4-methylphenyl) phosphate
CID 174780214
sodium naphthalen-2-yl hydrogen phosphate
CID 23700943
bis(4-chlorophenyl) (3-methylphenyl) phosphate
CID 6426541
(4-bromophenyl) bis(3-methylphenyl) phosphate
CID 6426555

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethylphenyl) naphthalen-2-yl phosphate?
The IUPAC name of bis(3,5-dimethylphenyl) naphthalen-2-yl phosphate (CID 139980297) is bis(3,5-dimethylphenyl) naphthalen-2-yl phosphate.
What is the SMILES notation for bis(3,5-dimethylphenyl) naphthalen-2-yl phosphate?
The canonical SMILES for bis(3,5-dimethylphenyl) naphthalen-2-yl phosphate is Cc1cc(C)cc(OP(=O)(Oc2cc(C)cc(C)c2)Oc2ccc3ccccc3c2)c1.
What is the InChIKey of bis(3,5-dimethylphenyl) naphthalen-2-yl phosphate?
The InChIKey is YGGGLYIWBKYFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25O4P/c1-18-11-19(2)14-25(13-18)29-31(27,30-26-15-20(3)12-21(4)16-26)28-24-10-9-22-7-5-6-8-23(22)17-24/h5-17H,1-4H3.
What are the key properties of bis(3,5-dimethylphenyl) naphthalen-2-yl phosphate?
bis(3,5-dimethylphenyl) naphthalen-2-yl phosphate has a molecular weight of 432.46 g/mol, XLogP of 7.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethylphenyl) naphthalen-2-yl phosphate is sourced from PubChem (CID 139980297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).