2-(6-butan-2-ylnaphthalen-2-yl)butan-2-yl-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]oxyphosphane

C39H39OP — CID 143042137

IUPAC2-(6-butan-2-ylnaphthalen-2-yl)butan-2-yl-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]oxyphosphane
SMILESCCC(C)c1ccc2cc(C(C)(CC)POc3ccc4ccccc4c3-c3c(C)ccc4ccccc34)ccc2c1
InChIInChI=1S/C39H39OP/c1-6-26(3)30-18-19-32-25-33(22-20-31(32)24-30)39(5,7-2)41-40-36-23-21-29-13-9-11-15-35(29)38(36)37-27(4)16-17-28-12-8-10-14-34(28)37/h8-26,41H,6-7H2,1-5H3
InChIKeyXQFRUYFOLMAJGX-UHFFFAOYSA-N
MW554.71 g/mol
LogP11.93
Rot. Bonds8

About 2-(6-butan-2-ylnaphthalen-2-yl)butan-2-yl-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]oxyphosphane

2-(6-butan-2-ylnaphthalen-2-yl)butan-2-yl-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]oxyphosphane (PubChem CID 143042137) has the molecular formula C39H39OP and a molecular weight of 554.71 g/mol. Its IUPAC name is 2-(6-butan-2-ylnaphthalen-2-yl)butan-2-yl-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]oxyphosphane.

Molecular Properties

Compound Name2-(6-butan-2-ylnaphthalen-2-yl)butan-2-yl-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]oxyphosphane
PubChem CID143042137
Molecular FormulaC39H39OP
Molecular Weight554.71 g/mol
Exact Mass554.27
IUPAC Name2-(6-butan-2-ylnaphthalen-2-yl)butan-2-yl-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]oxyphosphane
SMILESCCC(C)c1ccc2cc(C(C)(CC)POc3ccc4ccccc4c3-c3c(C)ccc4ccccc34)ccc2c1
InChIInChI=1S/C39H39OP/c1-6-26(3)30-18-19-32-25-33(22-20-31(32)24-30)39(5,7-2)41-40-36-23-21-29-13-9-11-15-35(29)38(36)37-27(4)16-17-28-12-8-10-14-34(28)37/h8-26,41H,6-7H2,1-5H3
InChIKeyXQFRUYFOLMAJGX-UHFFFAOYSA-N
XLogP11.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.71
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)butan-2-yl-[1-[2-[2-(4-chlorophenyl)butan-2-ylphosphanyloxy]naphthalen-1-yl]naphthalen-2-yl]oxyphosphane
CID 142045828
2-butan-2-yl-7-(2-methylbutan-2-yl)phenanthrene
CID 143619990
argon;[1-(6-butan-2-yl-2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 158582716
6-butan-2-yl-1-methylnaphthalene;1,4-dimethylnaphthalene;ethane;methane
CID 178128482
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
9-(4-butan-2-ylphenyl)anthracene
CID 22974701
2-methyl-1-naphthalen-2-ylbutan-1-amine
CID 63718165
2-butan-2-yl-6-tert-butylnaphthalene;4-butan-2-yl-2,6-dimethylphenol;4-butan-2-yl-2-methylphenol;2-butan-2-ylnaphthalene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol
CID 157360346
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
2-butan-2-yl-9-methylpentacene
CID 20764702
1-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-2-methylnaphthalene
CID 20722033
(1S,2R)-1-amino-3-methyl-1-phenanthren-9-ylpentan-2-ol
CID 171270480

Frequently Asked Questions

What is the IUPAC name of 2-(6-butan-2-ylnaphthalen-2-yl)butan-2-yl-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]oxyphosphane?
The IUPAC name of 2-(6-butan-2-ylnaphthalen-2-yl)butan-2-yl-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]oxyphosphane (CID 143042137) is 2-(6-butan-2-ylnaphthalen-2-yl)butan-2-yl-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]oxyphosphane.
What is the SMILES notation for 2-(6-butan-2-ylnaphthalen-2-yl)butan-2-yl-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]oxyphosphane?
The canonical SMILES for 2-(6-butan-2-ylnaphthalen-2-yl)butan-2-yl-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]oxyphosphane is CCC(C)c1ccc2cc(C(C)(CC)POc3ccc4ccccc4c3-c3c(C)ccc4ccccc34)ccc2c1.
What is the InChIKey of 2-(6-butan-2-ylnaphthalen-2-yl)butan-2-yl-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]oxyphosphane?
The InChIKey is XQFRUYFOLMAJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H39OP/c1-6-26(3)30-18-19-32-25-33(22-20-31(32)24-30)39(5,7-2)41-40-36-23-21-29-13-9-11-15-35(29)38(36)37-27(4)16-17-28-12-8-10-14-34(28)37/h8-26,41H,6-7H2,1-5H3.
What are the key properties of 2-(6-butan-2-ylnaphthalen-2-yl)butan-2-yl-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]oxyphosphane?
2-(6-butan-2-ylnaphthalen-2-yl)butan-2-yl-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]oxyphosphane has a molecular weight of 554.71 g/mol, XLogP of 11.93, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-butan-2-ylnaphthalen-2-yl)butan-2-yl-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]oxyphosphane is sourced from PubChem (CID 143042137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).