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

C51H69O4P — CID 19087227

IUPAC(4-methoxyphenyl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite
SMILESCOc1ccc(OP(Oc2cc3c(C(C)(C)C)cc(C(C)(C)C)cc3cc2C(C)(C)C)Oc2cc3c(C(C)(C)C)cc(C(C)(C)C)cc3cc2C(C)(C)C)cc1
InChIInChI=1S/C51H69O4P/c1-46(2,3)34-24-32-26-42(50(13,14)15)44(30-38(32)40(28-34)48(7,8)9)54-56(53-37-22-20-36(52-19)21-23-37)55-45-31-39-33(27-43(45)51(16,17)18)25-35(47(4,5)6)29-41(39)49(10,11)12/h20-31H,1-19H3
InChIKeyJUZTVKSSXVEHLK-UHFFFAOYSA-N
MW777.08 g/mol
LogP15.55
Rot. Bonds7

About (4-methoxyphenyl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite

(4-methoxyphenyl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite (PubChem CID 19087227) has the molecular formula C51H69O4P and a molecular weight of 777.08 g/mol. Its IUPAC name is (4-methoxyphenyl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite.

Molecular Properties

Compound Name(4-methoxyphenyl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite
PubChem CID19087227
Molecular FormulaC51H69O4P
Molecular Weight777.08 g/mol
Exact Mass776.49
IUPAC Name(4-methoxyphenyl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite
SMILESCOc1ccc(OP(Oc2cc3c(C(C)(C)C)cc(C(C)(C)C)cc3cc2C(C)(C)C)Oc2cc3c(C(C)(C)C)cc(C(C)(C)C)cc3cc2C(C)(C)C)cc1
InChIInChI=1S/C51H69O4P/c1-46(2,3)34-24-32-26-42(50(13,14)15)44(30-38(32)40(28-34)48(7,8)9)54-56(53-37-22-20-36(52-19)21-23-37)55-45-31-39-33(27-43(45)51(16,17)18)25-35(47(4,5)6)29-41(39)49(10,11)12/h20-31H,1-19H3
InChIKeyJUZTVKSSXVEHLK-UHFFFAOYSA-N
XLogP15.55
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.08
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-methoxyphenyl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite?
The IUPAC name of (4-methoxyphenyl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite (CID 19087227) is (4-methoxyphenyl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite.
What is the SMILES notation for (4-methoxyphenyl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite?
The canonical SMILES for (4-methoxyphenyl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite is COc1ccc(OP(Oc2cc3c(C(C)(C)C)cc(C(C)(C)C)cc3cc2C(C)(C)C)Oc2cc3c(C(C)(C)C)cc(C(C)(C)C)cc3cc2C(C)(C)C)cc1.
What is the InChIKey of (4-methoxyphenyl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite?
The InChIKey is JUZTVKSSXVEHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H69O4P/c1-46(2,3)34-24-32-26-42(50(13,14)15)44(30-38(32)40(28-34)48(7,8)9)54-56(53-37-22-20-36(52-19)21-23-37)55-45-31-39-33(27-43(45)51(16,17)18)25-35(47(4,5)6)29-41(39)49(10,11)12/h20-31H,1-19H3.
What are the key properties of (4-methoxyphenyl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite?
(4-methoxyphenyl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite has a molecular weight of 777.08 g/mol, XLogP of 15.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite is sourced from PubChem (CID 19087227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).