[1-[2-diphenylphosphanyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalen-2-yl]-diphenylphosphane;2-methyl-1-[2-methyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalene

C74H66O8P2 — CID 91222494

IUPAC[1-[2-diphenylphosphanyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalen-2-yl]-diphenylphosphane;2-methyl-1-[2-methyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalene
SMILESCOOCc1ccc2c(-c3c(C)ccc4cc(COOC)ccc34)c(C)ccc2c1.COOCc1ccc2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4cc(COOC)ccc34)c(P(c3ccccc3)c3ccccc3)ccc2c1
InChIInChI=1S/C48H40O4P2.C26H26O4/c1-49-51-33-35-23-27-43-37(31-35)25-29-45(53(39-15-7-3-8-16-39)40-17-9-4-10-18-40)47(43)48-44-28-24-36(34-52-50-2)32-38(44)26-30-46(48)54(41-19-11-5-12-20-41)42-21-13-6-14-22-42;1-17-5-9-21-13-19(15-29-27-3)7-11-23(21)25(17)26-18(2)6-10-22-14-20(16-30-28-4)8-12-24(22)26/h3-32H,33-34H2,1-2H3;5-14H,15-16H2,1-4H3
InChIKeyLFVWRFIJMNJALJ-UHFFFAOYSA-N
MW1145.28 g/mol
LogP15.77
Rot. Bonds20

About [1-[2-diphenylphosphanyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalen-2-yl]-diphenylphosphane;2-methyl-1-[2-methyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalene

[1-[2-diphenylphosphanyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalen-2-yl]-diphenylphosphane;2-methyl-1-[2-methyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalene (PubChem CID 91222494) has the molecular formula C74H66O8P2 and a molecular weight of 1145.28 g/mol. Its IUPAC name is [1-[2-diphenylphosphanyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalen-2-yl]-diphenylphosphane;2-methyl-1-[2-methyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalene.

Molecular Properties

Compound Name[1-[2-diphenylphosphanyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalen-2-yl]-diphenylphosphane;2-methyl-1-[2-methyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalene
PubChem CID91222494
Molecular FormulaC74H66O8P2
Molecular Weight1145.28 g/mol
Exact Mass1144.42
IUPAC Name[1-[2-diphenylphosphanyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalen-2-yl]-diphenylphosphane;2-methyl-1-[2-methyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalene
SMILESCOOCc1ccc2c(-c3c(C)ccc4cc(COOC)ccc34)c(C)ccc2c1.COOCc1ccc2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4cc(COOC)ccc34)c(P(c3ccccc3)c3ccccc3)ccc2c1
InChIInChI=1S/C48H40O4P2.C26H26O4/c1-49-51-33-35-23-27-43-37(31-35)25-29-45(53(39-15-7-3-8-16-39)40-17-9-4-10-18-40)47(43)48-44-28-24-36(34-52-50-2)32-38(44)26-30-46(48)54(41-19-11-5-12-20-41)42-21-13-6-14-22-42;1-17-5-9-21-13-19(15-29-27-3)7-11-23(21)25(17)26-18(2)6-10-22-14-20(16-30-28-4)8-12-24(22)26/h3-32H,33-34H2,1-2H3;5-14H,15-16H2,1-4H3
InChIKeyLFVWRFIJMNJALJ-UHFFFAOYSA-N
XLogP15.77
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001145.28
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
[5-[7-(aminomethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methanamine
CID 11412181
6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 135074802
[5-[7-(azaniumylmethyl)-2-diphenylphosphanylnaphthalen-1-yl]-6-diphenylphosphanylnaphthalen-2-yl]methylazanium;dibromoruthenium;dibromide
CID 11412180
[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-1-[6-[[3,5-bis[[3,5-bis(prop-2-enoxy)phenyl]methoxy]phenyl]methoxymethyl]-2-diphenylphosphanylnaphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
CID 101466208
methyl 3-[5-(2-diphenylphosphanylnaphthalen-1-yl)-6-methoxynaphthalen-2-yl]propanoate
CID 101349305
[6-diphenylphosphanyl-5-[2-diphenylphosphanyl-6-[hydroxy(methoxy)phosphoryl]naphthalen-1-yl]naphthalen-2-yl]-methoxyphosphinic acid
CID 20775207
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium;dihydrobromide
CID 173284385
[1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane
CID 10462740
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
CID 11981183
[1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;chlorogold
CID 135084915

Frequently Asked Questions

What is the IUPAC name of [1-[2-diphenylphosphanyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalen-2-yl]-diphenylphosphane;2-methyl-1-[2-methyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalene?
The IUPAC name of [1-[2-diphenylphosphanyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalen-2-yl]-diphenylphosphane;2-methyl-1-[2-methyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalene (CID 91222494) is [1-[2-diphenylphosphanyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalen-2-yl]-diphenylphosphane;2-methyl-1-[2-methyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalene.
What is the SMILES notation for [1-[2-diphenylphosphanyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalen-2-yl]-diphenylphosphane;2-methyl-1-[2-methyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalene?
The canonical SMILES for [1-[2-diphenylphosphanyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalen-2-yl]-diphenylphosphane;2-methyl-1-[2-methyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalene is COOCc1ccc2c(-c3c(C)ccc4cc(COOC)ccc34)c(C)ccc2c1.COOCc1ccc2c(-c3c(P(c4ccccc4)c4ccccc4)ccc4cc(COOC)ccc34)c(P(c3ccccc3)c3ccccc3)ccc2c1.
What is the InChIKey of [1-[2-diphenylphosphanyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalen-2-yl]-diphenylphosphane;2-methyl-1-[2-methyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalene?
The InChIKey is LFVWRFIJMNJALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40O4P2.C26H26O4/c1-49-51-33-35-23-27-43-37(31-35)25-29-45(53(39-15-7-3-8-16-39)40-17-9-4-10-18-40)47(43)48-44-28-24-36(34-52-50-2)32-38(44)26-30-46(48)54(41-19-11-5-12-20-41)42-21-13-6-14-22-42;1-17-5-9-21-13-19(15-29-27-3)7-11-23(21)25(17)26-18(2)6-10-22-14-20(16-30-28-4)8-12-24(22)26/h3-32H,33-34H2,1-2H3;5-14H,15-16H2,1-4H3.
What are the key properties of [1-[2-diphenylphosphanyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalen-2-yl]-diphenylphosphane;2-methyl-1-[2-methyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalene?
[1-[2-diphenylphosphanyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalen-2-yl]-diphenylphosphane;2-methyl-1-[2-methyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalene has a molecular weight of 1145.28 g/mol, XLogP of 15.77, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-diphenylphosphanyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalen-2-yl]-diphenylphosphane;2-methyl-1-[2-methyl-6-(methylperoxymethyl)naphthalen-1-yl]-6-(methylperoxymethyl)naphthalene is sourced from PubChem (CID 91222494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).