(3-tert-butylnaphthalen-2-yl)oxy-[3-[3-(3-tert-butylnaphthalen-2-yl)oxyphosphanyloxynaphthalen-2-yl]naphthalen-2-yl]oxyphosphane

C48H44O4P2 — CID 20677953

IUPAC(3-tert-butylnaphthalen-2-yl)oxy-[3-[3-(3-tert-butylnaphthalen-2-yl)oxyphosphanyloxynaphthalen-2-yl]naphthalen-2-yl]oxyphosphane
SMILESCC(C)(C)c1cc2ccccc2cc1OPOc1cc2ccccc2cc1-c1cc2ccccc2cc1OPOc1cc2ccccc2cc1C(C)(C)C
InChIInChI=1S/C48H44O4P2/c1-47(2,3)41-25-33-17-9-13-21-37(33)29-45(41)51-53-49-43-27-35-19-11-7-15-31(35)23-39(43)40-24-32-16-8-12-20-36(32)28-44(40)50-54-52-46-30-38-22-14-10-18-34(38)26-42(46)48(4,5)6/h7-30,53-54H,1-6H3
InChIKeyCSCJXGVOGWDBRM-UHFFFAOYSA-N
MW746.82 g/mol
LogP14.49
Rot. Bonds9

About (3-tert-butylnaphthalen-2-yl)oxy-[3-[3-(3-tert-butylnaphthalen-2-yl)oxyphosphanyloxynaphthalen-2-yl]naphthalen-2-yl]oxyphosphane

(3-tert-butylnaphthalen-2-yl)oxy-[3-[3-(3-tert-butylnaphthalen-2-yl)oxyphosphanyloxynaphthalen-2-yl]naphthalen-2-yl]oxyphosphane (PubChem CID 20677953) has the molecular formula C48H44O4P2 and a molecular weight of 746.82 g/mol. Its IUPAC name is (3-tert-butylnaphthalen-2-yl)oxy-[3-[3-(3-tert-butylnaphthalen-2-yl)oxyphosphanyloxynaphthalen-2-yl]naphthalen-2-yl]oxyphosphane.

Molecular Properties

Compound Name(3-tert-butylnaphthalen-2-yl)oxy-[3-[3-(3-tert-butylnaphthalen-2-yl)oxyphosphanyloxynaphthalen-2-yl]naphthalen-2-yl]oxyphosphane
PubChem CID20677953
Molecular FormulaC48H44O4P2
Molecular Weight746.82 g/mol
Exact Mass746.27
IUPAC Name(3-tert-butylnaphthalen-2-yl)oxy-[3-[3-(3-tert-butylnaphthalen-2-yl)oxyphosphanyloxynaphthalen-2-yl]naphthalen-2-yl]oxyphosphane
SMILESCC(C)(C)c1cc2ccccc2cc1OPOc1cc2ccccc2cc1-c1cc2ccccc2cc1OPOc1cc2ccccc2cc1C(C)(C)C
InChIInChI=1S/C48H44O4P2/c1-47(2,3)41-25-33-17-9-13-21-37(33)29-45(41)51-53-49-43-27-35-19-11-7-15-31(35)23-39(43)40-24-32-16-8-12-20-36(32)28-44(40)50-54-52-46-30-38-22-14-10-18-34(38)26-42(46)48(4,5)6/h7-30,53-54H,1-6H3
InChIKeyCSCJXGVOGWDBRM-UHFFFAOYSA-N
XLogP14.49
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.82
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tris(3-tert-butylnaphthalen-2-yl) phosphite
CID 19087278
2,3-ditert-butylnaphthalene
CID 14173307
(3,6-ditert-butylnaphthalen-2-yl)oxy-[4-(3,6-ditert-butylnaphthalen-2-yl)oxyphosphanyloxypentan-2-yloxy]phosphane
CID 20688088
(2,4-ditert-butylphenoxy)-[2-[(2,4-ditert-butylphenoxy)phosphanyloxymethyl]phenoxy]phosphane
CID 59422614
[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-naphthalen-2-yloxyphosphanyloxyphenyl)phenoxy]-naphthalen-2-yloxyphosphane
CID 21130823
bis[2,3-bis(2,4,6-tritert-butylphenyl)phenoxy]phosphane
CID 87306706
(3,6-ditert-butylnaphthalen-2-yl)oxy-[4-[(3,6-ditert-butylnaphthalen-2-yl)oxymethylphosphanyloxy]pentan-2-yloxy]phosphane
CID 21130829
[2-tert-butyl-6-(3-tert-butyl-5-methyl-2-phenoxyphosphanyloxyphenyl)-4-methylphenoxy]-phenoxyphosphane
CID 59086574
(2-tert-butyl-4-phenylphenoxy)-ethoxyphosphane
CID 21130906
(2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite
CID 23002710
bis[2,4-bis(2-tert-butylphenyl)-3-phenylphenoxy]phosphane
CID 67204106
2,10-ditert-butyl-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11-heptaene
CID 2751899

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylnaphthalen-2-yl)oxy-[3-[3-(3-tert-butylnaphthalen-2-yl)oxyphosphanyloxynaphthalen-2-yl]naphthalen-2-yl]oxyphosphane?
The IUPAC name of (3-tert-butylnaphthalen-2-yl)oxy-[3-[3-(3-tert-butylnaphthalen-2-yl)oxyphosphanyloxynaphthalen-2-yl]naphthalen-2-yl]oxyphosphane (CID 20677953) is (3-tert-butylnaphthalen-2-yl)oxy-[3-[3-(3-tert-butylnaphthalen-2-yl)oxyphosphanyloxynaphthalen-2-yl]naphthalen-2-yl]oxyphosphane.
What is the SMILES notation for (3-tert-butylnaphthalen-2-yl)oxy-[3-[3-(3-tert-butylnaphthalen-2-yl)oxyphosphanyloxynaphthalen-2-yl]naphthalen-2-yl]oxyphosphane?
The canonical SMILES for (3-tert-butylnaphthalen-2-yl)oxy-[3-[3-(3-tert-butylnaphthalen-2-yl)oxyphosphanyloxynaphthalen-2-yl]naphthalen-2-yl]oxyphosphane is CC(C)(C)c1cc2ccccc2cc1OPOc1cc2ccccc2cc1-c1cc2ccccc2cc1OPOc1cc2ccccc2cc1C(C)(C)C.
What is the InChIKey of (3-tert-butylnaphthalen-2-yl)oxy-[3-[3-(3-tert-butylnaphthalen-2-yl)oxyphosphanyloxynaphthalen-2-yl]naphthalen-2-yl]oxyphosphane?
The InChIKey is CSCJXGVOGWDBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H44O4P2/c1-47(2,3)41-25-33-17-9-13-21-37(33)29-45(41)51-53-49-43-27-35-19-11-7-15-31(35)23-39(43)40-24-32-16-8-12-20-36(32)28-44(40)50-54-52-46-30-38-22-14-10-18-34(38)26-42(46)48(4,5)6/h7-30,53-54H,1-6H3.
What are the key properties of (3-tert-butylnaphthalen-2-yl)oxy-[3-[3-(3-tert-butylnaphthalen-2-yl)oxyphosphanyloxynaphthalen-2-yl]naphthalen-2-yl]oxyphosphane?
(3-tert-butylnaphthalen-2-yl)oxy-[3-[3-(3-tert-butylnaphthalen-2-yl)oxyphosphanyloxynaphthalen-2-yl]naphthalen-2-yl]oxyphosphane has a molecular weight of 746.82 g/mol, XLogP of 14.49, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylnaphthalen-2-yl)oxy-[3-[3-(3-tert-butylnaphthalen-2-yl)oxyphosphanyloxynaphthalen-2-yl]naphthalen-2-yl]oxyphosphane is sourced from PubChem (CID 20677953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).