tris(3-tert-butylnaphthalen-2-yl) phosphite

C42H45O3P — CID 19087278

IUPACtris(3-tert-butylnaphthalen-2-yl) phosphite
SMILESCC(C)(C)c1cc2ccccc2cc1OP(Oc1cc2ccccc2cc1C(C)(C)C)Oc1cc2ccccc2cc1C(C)(C)C
InChIInChI=1S/C42H45O3P/c1-40(2,3)34-22-28-16-10-13-19-31(28)25-37(34)43-46(44-38-26-32-20-14-11-17-29(32)23-35(38)41(4,5)6)45-39-27-33-21-15-12-18-30(33)24-36(39)42(7,8)9/h10-27H,1-9H3
InChIKeyQKLOMIAQFKHJJW-UHFFFAOYSA-N
MW628.79 g/mol
LogP12.80
Rot. Bonds6

About tris(3-tert-butylnaphthalen-2-yl) phosphite

tris(3-tert-butylnaphthalen-2-yl) phosphite (PubChem CID 19087278) has the molecular formula C42H45O3P and a molecular weight of 628.79 g/mol. Its IUPAC name is tris(3-tert-butylnaphthalen-2-yl) phosphite.

Molecular Properties

Compound Nametris(3-tert-butylnaphthalen-2-yl) phosphite
PubChem CID19087278
Molecular FormulaC42H45O3P
Molecular Weight628.79 g/mol
Exact Mass628.31
IUPAC Nametris(3-tert-butylnaphthalen-2-yl) phosphite
SMILESCC(C)(C)c1cc2ccccc2cc1OP(Oc1cc2ccccc2cc1C(C)(C)C)Oc1cc2ccccc2cc1C(C)(C)C
InChIInChI=1S/C42H45O3P/c1-40(2,3)34-22-28-16-10-13-19-31(28)25-37(34)43-46(44-38-26-32-20-14-11-17-29(32)23-35(38)41(4,5)6)45-39-27-33-21-15-12-18-30(33)24-36(39)42(7,8)9/h10-27H,1-9H3
InChIKeyQKLOMIAQFKHJJW-UHFFFAOYSA-N
XLogP12.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.79
LogP ≤ 512.80
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

(2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite
CID 23002710
bis(3,6-ditert-butylnaphthalen-2-yl) (2,4-ditert-butylphenyl) phosphite
CID 23002702
2,3-ditert-butylnaphthalene
CID 14173307
bis(3,6-ditert-butylnaphthalen-2-yl) [4-(trifluoromethyl)phenyl] phosphite
CID 19087200
(3-tert-butylnaphthalen-2-yl)oxy-[3-[3-(3-tert-butylnaphthalen-2-yl)oxyphosphanyloxynaphthalen-2-yl]naphthalen-2-yl]oxyphosphane
CID 20677953
bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite
CID 54014526
(4-methoxyphenyl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite
CID 19087227
(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
[4-(benzenesulfonyl)phenyl] bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite
CID 15218832
tris(2-tert-butyl-4-hydroxy-5-methylphenyl) phosphite
CID 175167608
[2-[[2-bis(2-tert-butylphenoxy)phosphanyloxyphenyl]-dimethylsilyl]phenyl] bis(2-tert-butylphenyl) phosphite
CID 58931579

Frequently Asked Questions

What is the IUPAC name of tris(3-tert-butylnaphthalen-2-yl) phosphite?
The IUPAC name of tris(3-tert-butylnaphthalen-2-yl) phosphite (CID 19087278) is tris(3-tert-butylnaphthalen-2-yl) phosphite.
What is the SMILES notation for tris(3-tert-butylnaphthalen-2-yl) phosphite?
The canonical SMILES for tris(3-tert-butylnaphthalen-2-yl) phosphite is CC(C)(C)c1cc2ccccc2cc1OP(Oc1cc2ccccc2cc1C(C)(C)C)Oc1cc2ccccc2cc1C(C)(C)C.
What is the InChIKey of tris(3-tert-butylnaphthalen-2-yl) phosphite?
The InChIKey is QKLOMIAQFKHJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H45O3P/c1-40(2,3)34-22-28-16-10-13-19-31(28)25-37(34)43-46(44-38-26-32-20-14-11-17-29(32)23-35(38)41(4,5)6)45-39-27-33-21-15-12-18-30(33)24-36(39)42(7,8)9/h10-27H,1-9H3.
What are the key properties of tris(3-tert-butylnaphthalen-2-yl) phosphite?
tris(3-tert-butylnaphthalen-2-yl) phosphite has a molecular weight of 628.79 g/mol, XLogP of 12.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-tert-butylnaphthalen-2-yl) phosphite is sourced from PubChem (CID 19087278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).