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

C46H59O3P — CID 23002710

IUPAC(2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite
SMILESCC(C)(C)c1ccc2cc(OP(Oc3ccccc3C(C)(C)C)Oc3cc4ccc(C(C)(C)C)cc4cc3C(C)(C)C)c(C(C)(C)C)cc2c1
InChIInChI=1S/C46H59O3P/c1-42(2,3)34-22-20-30-28-40(37(45(10,11)12)26-32(30)24-34)48-50(47-39-19-17-16-18-36(39)44(7,8)9)49-41-29-31-21-23-35(43(4,5)6)25-33(31)27-38(41)46(13,14)15/h16-29H,1-15H3
InChIKeyJNIHGVDGVJZBFA-UHFFFAOYSA-N
MW690.95 g/mol
LogP14.24
Rot. Bonds6

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

(2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite (PubChem CID 23002710) has the molecular formula C46H59O3P and a molecular weight of 690.95 g/mol. Its IUPAC name is (2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite.

Molecular Properties

Compound Name(2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite
PubChem CID23002710
Molecular FormulaC46H59O3P
Molecular Weight690.95 g/mol
Exact Mass690.42
IUPAC Name(2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite
SMILESCC(C)(C)c1ccc2cc(OP(Oc3ccccc3C(C)(C)C)Oc3cc4ccc(C(C)(C)C)cc4cc3C(C)(C)C)c(C(C)(C)C)cc2c1
InChIInChI=1S/C46H59O3P/c1-42(2,3)34-22-20-30-28-40(37(45(10,11)12)26-32(30)24-34)48-50(47-39-19-17-16-18-36(39)44(7,8)9)49-41-29-31-21-23-35(43(4,5)6)25-33(31)27-38(41)46(13,14)15/h16-29H,1-15H3
InChIKeyJNIHGVDGVJZBFA-UHFFFAOYSA-N
XLogP14.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.95
LogP ≤ 514.24
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

bis(3,6-ditert-butylnaphthalen-2-yl) (2,4-ditert-butylphenyl) phosphite
CID 23002702
bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite
CID 54014526
tris(3-tert-butylnaphthalen-2-yl) phosphite
CID 19087278
bis(3,6-ditert-butylnaphthalen-2-yl) [4-(trifluoromethyl)phenyl] phosphite
CID 19087200
(3,6-ditert-butylnaphthalen-2-yl) (2-naphthalen-2-ylphenyl) hydrogen phosphite
CID 19087237
(6-tert-butylnaphthalen-2-yl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite
CID 19087216
[2-[[2-bis(2-tert-butylphenoxy)phosphanyloxyphenyl]-dimethylsilyl]phenyl] bis(2-tert-butylphenyl) phosphite
CID 58931579
(3,6-ditert-butylnaphthalen-2-yl) dihydrogen phosphate
CID 162260260
(4-methoxyphenyl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite
CID 19087227
bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane
CID 54542176
1,2-ditert-butylbenzene;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;2,7-ditert-butylnaphthalene
CID 157478652
[2,3-bis(3,6-ditert-butylnaphthalen-2-yl)phenyl] phosphite
CID 19087229

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite?
The IUPAC name of (2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite (CID 23002710) is (2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite.
What is the SMILES notation for (2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite?
The canonical SMILES for (2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite is CC(C)(C)c1ccc2cc(OP(Oc3ccccc3C(C)(C)C)Oc3cc4ccc(C(C)(C)C)cc4cc3C(C)(C)C)c(C(C)(C)C)cc2c1.
What is the InChIKey of (2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite?
The InChIKey is JNIHGVDGVJZBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H59O3P/c1-42(2,3)34-22-20-30-28-40(37(45(10,11)12)26-32(30)24-34)48-50(47-39-19-17-16-18-36(39)44(7,8)9)49-41-29-31-21-23-35(43(4,5)6)25-33(31)27-38(41)46(13,14)15/h16-29H,1-15H3.
What are the key properties of (2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite?
(2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite has a molecular weight of 690.95 g/mol, XLogP of 14.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite is sourced from PubChem (CID 23002710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).