tert-butyl bis(3,6-ditert-butylnaphthalen-2-yl) phosphite

C40H55O3P — CID 19087208

IUPACtert-butyl bis(3,6-ditert-butylnaphthalen-2-yl) phosphite
SMILESCC(C)(C)OP(Oc1cc2ccc(C(C)(C)C)cc2cc1C(C)(C)C)Oc1cc2ccc(C(C)(C)C)cc2cc1C(C)(C)C
InChIInChI=1S/C40H55O3P/c1-36(2,3)30-18-16-26-24-34(32(38(7,8)9)22-28(26)20-30)41-44(43-40(13,14)15)42-35-25-27-17-19-31(37(4,5)6)21-29(27)23-33(35)39(10,11)12/h16-25H,1-15H3
InChIKeyVVTJRUFYIUGZMW-UHFFFAOYSA-N
MW614.85 g/mol
LogP12.68
Rot. Bonds5

About tert-butyl bis(3,6-ditert-butylnaphthalen-2-yl) phosphite

tert-butyl bis(3,6-ditert-butylnaphthalen-2-yl) phosphite (PubChem CID 19087208) has the molecular formula C40H55O3P and a molecular weight of 614.85 g/mol. Its IUPAC name is tert-butyl bis(3,6-ditert-butylnaphthalen-2-yl) phosphite.

Molecular Properties

Compound Nametert-butyl bis(3,6-ditert-butylnaphthalen-2-yl) phosphite
PubChem CID19087208
Molecular FormulaC40H55O3P
Molecular Weight614.85 g/mol
Exact Mass614.39
IUPAC Nametert-butyl bis(3,6-ditert-butylnaphthalen-2-yl) phosphite
SMILESCC(C)(C)OP(Oc1cc2ccc(C(C)(C)C)cc2cc1C(C)(C)C)Oc1cc2ccc(C(C)(C)C)cc2cc1C(C)(C)C
InChIInChI=1S/C40H55O3P/c1-36(2,3)30-18-16-26-24-34(32(38(7,8)9)22-28(26)20-30)41-44(43-40(13,14)15)42-35-25-27-17-19-31(37(4,5)6)21-29(27)23-33(35)39(10,11)12/h16-25H,1-15H3
InChIKeyVVTJRUFYIUGZMW-UHFFFAOYSA-N
XLogP12.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.85
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Hydroxypyrene
CID 21387
Tris(2,4-di-tert-butylphenyl) phosphite
CID 91601
4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)
CID 92905
Tetrakis(2,4-di-tert-butylphenyl) (1,1-biphenyl)-4,4'-diylbisphosphonite
CID 93207
P,P'-(Butylidenebis(2-(1,1-dimethylethyl)-5-methyl-4,1-phenylene)) bis(P,P-ditridecyl phosphite)
CID 14440926
6-Hydroxychrysene
CID 37766
Tris(2,4-DI-tert-butylphenyl)phosphate
CID 14572930
5-Ethenyl-1-methyl-2,7-phenanthrenediol
CID 5316810
4,4'-Isopropylidenebis(2-tert-butylphenol) bis(4-nonylphenyl) phosphite
CID 88417
6-(4-Hydroxy-phenyl)-1-phenyl-naphthalen-2-ol
CID 10171886
6-(4-Hydroxy-phenyl)-1-methyl-naphthalen-2-ol
CID 10308075
6-(3-Hydroxyphenyl)-1-phenyl-2-naphthol
CID 24894072

Frequently Asked Questions

What is the IUPAC name of tert-butyl bis(3,6-ditert-butylnaphthalen-2-yl) phosphite?
The IUPAC name of tert-butyl bis(3,6-ditert-butylnaphthalen-2-yl) phosphite (CID 19087208) is tert-butyl bis(3,6-ditert-butylnaphthalen-2-yl) phosphite.
What is the SMILES notation for tert-butyl bis(3,6-ditert-butylnaphthalen-2-yl) phosphite?
The canonical SMILES for tert-butyl bis(3,6-ditert-butylnaphthalen-2-yl) phosphite is CC(C)(C)OP(Oc1cc2ccc(C(C)(C)C)cc2cc1C(C)(C)C)Oc1cc2ccc(C(C)(C)C)cc2cc1C(C)(C)C.
What is the InChIKey of tert-butyl bis(3,6-ditert-butylnaphthalen-2-yl) phosphite?
The InChIKey is VVTJRUFYIUGZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H55O3P/c1-36(2,3)30-18-16-26-24-34(32(38(7,8)9)22-28(26)20-30)41-44(43-40(13,14)15)42-35-25-27-17-19-31(37(4,5)6)21-29(27)23-33(35)39(10,11)12/h16-25H,1-15H3.
What are the key properties of tert-butyl bis(3,6-ditert-butylnaphthalen-2-yl) phosphite?
tert-butyl bis(3,6-ditert-butylnaphthalen-2-yl) phosphite has a molecular weight of 614.85 g/mol, XLogP of 12.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl bis(3,6-ditert-butylnaphthalen-2-yl) phosphite is sourced from PubChem (CID 19087208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).