(6-tert-butylnaphthalen-2-yl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite

C58H77O3P — CID 19087216

IUPAC(6-tert-butylnaphthalen-2-yl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite
SMILESCC(C)(C)c1ccc2cc(OP(Oc3cc4c(C(C)(C)C)cc(C(C)(C)C)cc4cc3C(C)(C)C)Oc3cc4c(C(C)(C)C)cc(C(C)(C)C)cc4cc3C(C)(C)C)ccc2c1
InChIInChI=1S/C58H77O3P/c1-52(2,3)40-24-22-37-29-43(25-23-36(37)26-40)59-62(60-50-34-44-38(30-48(50)57(16,17)18)27-41(53(4,5)6)32-46(44)55(10,11)12)61-51-35-45-39(31-49(51)58(19,20)21)28-42(54(7,8)9)33-47(45)56(13,14)15/h22-35H,1-21H3
InChIKeyYSWHNIPNUFGGMV-UHFFFAOYSA-N
MW853.22 g/mol
LogP17.99
Rot. Bonds6

About (6-tert-butylnaphthalen-2-yl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite

(6-tert-butylnaphthalen-2-yl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite (PubChem CID 19087216) has the molecular formula C58H77O3P and a molecular weight of 853.22 g/mol. Its IUPAC name is (6-tert-butylnaphthalen-2-yl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite.

Molecular Properties

Compound Name(6-tert-butylnaphthalen-2-yl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite
PubChem CID19087216
Molecular FormulaC58H77O3P
Molecular Weight853.22 g/mol
Exact Mass852.56
IUPAC Name(6-tert-butylnaphthalen-2-yl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite
SMILESCC(C)(C)c1ccc2cc(OP(Oc3cc4c(C(C)(C)C)cc(C(C)(C)C)cc4cc3C(C)(C)C)Oc3cc4c(C(C)(C)C)cc(C(C)(C)C)cc4cc3C(C)(C)C)ccc2c1
InChIInChI=1S/C58H77O3P/c1-52(2,3)40-24-22-37-29-43(25-23-36(37)26-40)59-62(60-50-34-44-38(30-48(50)57(16,17)18)27-41(53(4,5)6)32-46(44)55(10,11)12)61-51-35-45-39(31-49(51)58(19,20)21)28-42(54(7,8)9)33-47(45)56(13,14)15/h22-35H,1-21H3
InChIKeyYSWHNIPNUFGGMV-UHFFFAOYSA-N
XLogP17.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.22
LogP ≤ 517.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-tert-butylnaphthalen-2-yl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite?
The IUPAC name of (6-tert-butylnaphthalen-2-yl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite (CID 19087216) is (6-tert-butylnaphthalen-2-yl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite.
What is the SMILES notation for (6-tert-butylnaphthalen-2-yl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite?
The canonical SMILES for (6-tert-butylnaphthalen-2-yl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite is CC(C)(C)c1ccc2cc(OP(Oc3cc4c(C(C)(C)C)cc(C(C)(C)C)cc4cc3C(C)(C)C)Oc3cc4c(C(C)(C)C)cc(C(C)(C)C)cc4cc3C(C)(C)C)ccc2c1.
What is the InChIKey of (6-tert-butylnaphthalen-2-yl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite?
The InChIKey is YSWHNIPNUFGGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H77O3P/c1-52(2,3)40-24-22-37-29-43(25-23-36(37)26-40)59-62(60-50-34-44-38(30-48(50)57(16,17)18)27-41(53(4,5)6)32-46(44)55(10,11)12)61-51-35-45-39(31-49(51)58(19,20)21)28-42(54(7,8)9)33-47(45)56(13,14)15/h22-35H,1-21H3.
What are the key properties of (6-tert-butylnaphthalen-2-yl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite?
(6-tert-butylnaphthalen-2-yl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite has a molecular weight of 853.22 g/mol, XLogP of 17.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butylnaphthalen-2-yl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite is sourced from PubChem (CID 19087216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).