gold(1+);methylbenzene;triphenylphosphanium

C25H23AuP+ — CID 127264320

IUPACgold(1+);methylbenzene;triphenylphosphanium
SMILESCc1cc[c-]cc1.[Au+].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C7H7.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;/h1-15H;3-6H,1H3;/q;-1;+1/p+1
InChIKeyNCNXDNNJANIBTQ-UHFFFAOYSA-O
MW551.40 g/mol
LogP4.97
Rot. Bonds3

About gold(1+);methylbenzene;triphenylphosphanium

gold(1+);methylbenzene;triphenylphosphanium (PubChem CID 127264320) has the molecular formula C25H23AuP+ and a molecular weight of 551.40 g/mol. Its IUPAC name is gold(1+);methylbenzene;triphenylphosphanium.

Molecular Properties

Compound Namegold(1+);methylbenzene;triphenylphosphanium
PubChem CID127264320
Molecular FormulaC25H23AuP+
Molecular Weight551.40 g/mol
Exact Mass551.12
IUPAC Namegold(1+);methylbenzene;triphenylphosphanium
SMILESCc1cc[c-]cc1.[Au+].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C7H7.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;/h1-15H;3-6H,1H3;/q;-1;+1/p+1
InChIKeyNCNXDNNJANIBTQ-UHFFFAOYSA-O
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.40
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

cobalt(3+);methylbenzene
CID 156753430
methylbenzene;zirconium
CID 154186584
methylbenzene;yttrium(3+)
CID 22952606
carbanide;(4-methylphenyl)-diphenylphosphanium;palladium
CID 164850480
ethane;methylbenzene;yttrium
CID 158556230
methane;methylbenzene;yttrium
CID 160876865
methane;methylbenzene;yttrium
CID 158936681
methanol;methylbenzene;titanium
CID 141397968
magnesium;methylbenzene;chloride;hydrobromide
CID 87204624
benzene;carbanide;toluene;tungsten(2+)
CID 143728683
iodopalladium(1+);methylbenzene;bis(triphenylarsane)
CID 12710107
palladium;tetrakis(triphenylphosphanium)
CID 54587875

Frequently Asked Questions

What is the IUPAC name of gold(1+);methylbenzene;triphenylphosphanium?
The IUPAC name of gold(1+);methylbenzene;triphenylphosphanium (CID 127264320) is gold(1+);methylbenzene;triphenylphosphanium.
What is the SMILES notation for gold(1+);methylbenzene;triphenylphosphanium?
The canonical SMILES for gold(1+);methylbenzene;triphenylphosphanium is Cc1cc[c-]cc1.[Au+].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of gold(1+);methylbenzene;triphenylphosphanium?
The InChIKey is NCNXDNNJANIBTQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15P.C7H7.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;/h1-15H;3-6H,1H3;/q;-1;+1/p+1.
What are the key properties of gold(1+);methylbenzene;triphenylphosphanium?
gold(1+);methylbenzene;triphenylphosphanium has a molecular weight of 551.40 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+);methylbenzene;triphenylphosphanium is sourced from PubChem (CID 127264320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).