[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-naphthalen-2-yloxyphosphanyloxyphenyl)phenoxy]-naphthalen-2-yloxyphosphane

C48H56O4P2 — CID 21130823

IUPAC[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-naphthalen-2-yloxyphosphanyloxyphenyl)phenoxy]-naphthalen-2-yloxyphosphane
SMILESCC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OPOc2ccc3ccccc3c2)c(OPOc2ccc3ccccc3c2)c(C(C)(C)C)c1
InChIInChI=1S/C48H56O4P2/c1-45(2,3)35-27-39(43(41(29-35)47(7,8)9)51-53-49-37-23-21-31-17-13-15-19-33(31)25-37)40-28-36(46(4,5)6)30-42(48(10,11)12)44(40)52-54-50-38-24-22-32-18-14-16-20-34(32)26-38/h13-30,53-54H,1-12H3
InChIKeyXXJXZFJMOCFNDI-UHFFFAOYSA-N
MW758.92 g/mol
LogP14.78
Rot. Bonds9

About [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-naphthalen-2-yloxyphosphanyloxyphenyl)phenoxy]-naphthalen-2-yloxyphosphane

[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-naphthalen-2-yloxyphosphanyloxyphenyl)phenoxy]-naphthalen-2-yloxyphosphane (PubChem CID 21130823) has the molecular formula C48H56O4P2 and a molecular weight of 758.92 g/mol. Its IUPAC name is [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-naphthalen-2-yloxyphosphanyloxyphenyl)phenoxy]-naphthalen-2-yloxyphosphane.

Molecular Properties

Compound Name[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-naphthalen-2-yloxyphosphanyloxyphenyl)phenoxy]-naphthalen-2-yloxyphosphane
PubChem CID21130823
Molecular FormulaC48H56O4P2
Molecular Weight758.92 g/mol
Exact Mass758.37
IUPAC Name[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-naphthalen-2-yloxyphosphanyloxyphenyl)phenoxy]-naphthalen-2-yloxyphosphane
SMILESCC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OPOc2ccc3ccccc3c2)c(OPOc2ccc3ccccc3c2)c(C(C)(C)C)c1
InChIInChI=1S/C48H56O4P2/c1-45(2,3)35-27-39(43(41(29-35)47(7,8)9)51-53-49-37-23-21-31-17-13-15-19-33(31)25-37)40-28-36(46(4,5)6)30-42(48(10,11)12)44(40)52-54-50-38-24-22-32-18-14-16-20-34(32)26-38/h13-30,53-54H,1-12H3
InChIKeyXXJXZFJMOCFNDI-UHFFFAOYSA-N
XLogP14.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.92
LogP ≤ 514.78
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

[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-pyridin-3-yloxyphosphanyloxyphenyl)phenoxy]-pyridin-3-yloxyphosphane
CID 21130844
[2-tert-butyl-6-(3-tert-butyl-5-methyl-2-phenoxyphosphanyloxyphenyl)-4-methylphenoxy]-phenoxyphosphane
CID 59086574
naphthalen-2-yloxy-[2-[2-naphthalen-2-yloxyphosphanyloxy-3,5-di(propan-2-yl)phenyl]-4,6-di(propan-2-yl)phenoxy]phosphane
CID 21130809
13-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yloxy)phenyl]phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 10931126
[2-[2-bis(4-phenylphenoxy)phosphanyloxy-3,5-ditert-butylphenyl]-4,6-ditert-butylphenyl] bis(4-phenylphenyl) phosphite
CID 140827255
(3-tert-butylnaphthalen-2-yl)oxy-[3-[3-(3-tert-butylnaphthalen-2-yl)oxyphosphanyloxynaphthalen-2-yl]naphthalen-2-yl]oxyphosphane
CID 20677953
2-(2,4,6-tritert-butylphenoxy)-1,3,2-benzodioxaphosphole
CID 14945673
2,3-ditert-butylnaphthalene
CID 14173307
(4-tert-butylnaphthalen-2-yl)oxyboronic acid
CID 175451277
1-(2,4,6-tritert-butylphenyl)pentacene
CID 141153745
6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]benzo[d][1,3,2]benzodioxaphosphepine;6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 158305230
bis[2,3-bis(2,4,6-tritert-butylphenyl)phenoxy]phosphane
CID 87306706

Frequently Asked Questions

What is the IUPAC name of [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-naphthalen-2-yloxyphosphanyloxyphenyl)phenoxy]-naphthalen-2-yloxyphosphane?
The IUPAC name of [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-naphthalen-2-yloxyphosphanyloxyphenyl)phenoxy]-naphthalen-2-yloxyphosphane (CID 21130823) is [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-naphthalen-2-yloxyphosphanyloxyphenyl)phenoxy]-naphthalen-2-yloxyphosphane.
What is the SMILES notation for [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-naphthalen-2-yloxyphosphanyloxyphenyl)phenoxy]-naphthalen-2-yloxyphosphane?
The canonical SMILES for [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-naphthalen-2-yloxyphosphanyloxyphenyl)phenoxy]-naphthalen-2-yloxyphosphane is CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OPOc2ccc3ccccc3c2)c(OPOc2ccc3ccccc3c2)c(C(C)(C)C)c1.
What is the InChIKey of [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-naphthalen-2-yloxyphosphanyloxyphenyl)phenoxy]-naphthalen-2-yloxyphosphane?
The InChIKey is XXJXZFJMOCFNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H56O4P2/c1-45(2,3)35-27-39(43(41(29-35)47(7,8)9)51-53-49-37-23-21-31-17-13-15-19-33(31)25-37)40-28-36(46(4,5)6)30-42(48(10,11)12)44(40)52-54-50-38-24-22-32-18-14-16-20-34(32)26-38/h13-30,53-54H,1-12H3.
What are the key properties of [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-naphthalen-2-yloxyphosphanyloxyphenyl)phenoxy]-naphthalen-2-yloxyphosphane?
[2,4-ditert-butyl-6-(3,5-ditert-butyl-2-naphthalen-2-yloxyphosphanyloxyphenyl)phenoxy]-naphthalen-2-yloxyphosphane has a molecular weight of 758.92 g/mol, XLogP of 14.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-ditert-butyl-6-(3,5-ditert-butyl-2-naphthalen-2-yloxyphosphanyloxyphenyl)phenoxy]-naphthalen-2-yloxyphosphane is sourced from PubChem (CID 21130823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).