ethane;methoxybenzene;[4-[4-(phenoxy)benzoyl]phenyl]-triphenylphosphanium;tungsten(2+)

C48H46O3PW+ — CID 162113775

IUPACethane;methoxybenzene;[4-[4-(phenoxy)benzoyl]phenyl]-triphenylphosphanium;tungsten(2+)
SMILESCC.CC.COc1cc[c-]cc1.O=C(c1ccc(Oc2cc[c-]cc2)cc1)c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[W+2]
InChIInChI=1S/C37H27O2P.C7H7O.2C2H6.W/c38-37(29-21-25-32(26-22-29)39-31-13-5-1-6-14-31)30-23-27-36(28-24-30)40(33-15-7-2-8-16-33,34-17-9-3-10-18-34)35-19-11-4-12-20-35;1-8-7-5-3-2-4-6-7;2*1-2;/h2-28H;3-6H,1H3;2*1-2H3;/q;-1;;;+2
InChIKeyJTWAYQFWQUWUCO-UHFFFAOYSA-N
MW885.71 g/mol
LogP10.67
Rot. Bonds9

About ethane;methoxybenzene;[4-[4-(phenoxy)benzoyl]phenyl]-triphenylphosphanium;tungsten(2+)

ethane;methoxybenzene;[4-[4-(phenoxy)benzoyl]phenyl]-triphenylphosphanium;tungsten(2+) (PubChem CID 162113775) has the molecular formula C48H46O3PW+ and a molecular weight of 885.71 g/mol. Its IUPAC name is ethane;methoxybenzene;[4-[4-(phenoxy)benzoyl]phenyl]-triphenylphosphanium;tungsten(2+).

Molecular Properties

Compound Nameethane;methoxybenzene;[4-[4-(phenoxy)benzoyl]phenyl]-triphenylphosphanium;tungsten(2+)
PubChem CID162113775
Molecular FormulaC48H46O3PW+
Molecular Weight885.71 g/mol
Exact Mass885.27
IUPAC Nameethane;methoxybenzene;[4-[4-(phenoxy)benzoyl]phenyl]-triphenylphosphanium;tungsten(2+)
SMILESCC.CC.COc1cc[c-]cc1.O=C(c1ccc(Oc2cc[c-]cc2)cc1)c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[W+2]
InChIInChI=1S/C37H27O2P.C7H7O.2C2H6.W/c38-37(29-21-25-32(26-22-29)39-31-13-5-1-6-14-31)30-23-27-36(28-24-30)40(33-15-7-2-8-16-33,34-17-9-3-10-18-34)35-19-11-4-12-20-35;1-8-7-5-3-2-4-6-7;2*1-2;/h2-28H;3-6H,1H3;2*1-2H3;/q;-1;;;+2
InChIKeyJTWAYQFWQUWUCO-UHFFFAOYSA-N
XLogP10.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.71
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

triphenyl-[4-[4-[4-[2-[4-[4-(4-triphenylphosphaniumylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]phosphanium dichloride
CID 169426235
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
(4-phenoxyphenyl)-triphenylphosphanium
CID 102105381
ethane;methoxybenzene;phenyl acetate;tungsten(2+)
CID 158968313
[4-[4-(4-methoxybenzoyl)phenoxy]phenyl] hypoiodite
CID 118689697
ethane;methoxybenzene;phenyl acetate;tungsten(2+)
CID 142107588
acetic acid;palladium;phenoxybenzene
CID 174986322

Frequently Asked Questions

What is the IUPAC name of ethane;methoxybenzene;[4-[4-(phenoxy)benzoyl]phenyl]-triphenylphosphanium;tungsten(2+)?
The IUPAC name of ethane;methoxybenzene;[4-[4-(phenoxy)benzoyl]phenyl]-triphenylphosphanium;tungsten(2+) (CID 162113775) is ethane;methoxybenzene;[4-[4-(phenoxy)benzoyl]phenyl]-triphenylphosphanium;tungsten(2+).
What is the SMILES notation for ethane;methoxybenzene;[4-[4-(phenoxy)benzoyl]phenyl]-triphenylphosphanium;tungsten(2+)?
The canonical SMILES for ethane;methoxybenzene;[4-[4-(phenoxy)benzoyl]phenyl]-triphenylphosphanium;tungsten(2+) is CC.CC.COc1cc[c-]cc1.O=C(c1ccc(Oc2cc[c-]cc2)cc1)c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[W+2].
What is the InChIKey of ethane;methoxybenzene;[4-[4-(phenoxy)benzoyl]phenyl]-triphenylphosphanium;tungsten(2+)?
The InChIKey is JTWAYQFWQUWUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27O2P.C7H7O.2C2H6.W/c38-37(29-21-25-32(26-22-29)39-31-13-5-1-6-14-31)30-23-27-36(28-24-30)40(33-15-7-2-8-16-33,34-17-9-3-10-18-34)35-19-11-4-12-20-35;1-8-7-5-3-2-4-6-7;2*1-2;/h2-28H;3-6H,1H3;2*1-2H3;/q;-1;;;+2.
What are the key properties of ethane;methoxybenzene;[4-[4-(phenoxy)benzoyl]phenyl]-triphenylphosphanium;tungsten(2+)?
ethane;methoxybenzene;[4-[4-(phenoxy)benzoyl]phenyl]-triphenylphosphanium;tungsten(2+) has a molecular weight of 885.71 g/mol, XLogP of 10.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxybenzene;[4-[4-(phenoxy)benzoyl]phenyl]-triphenylphosphanium;tungsten(2+) is sourced from PubChem (CID 162113775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).