benzene;bis(gold(1+));bis(triphenylphosphane)

C42H34Au2P2 — CID 11251688

IUPACbenzene;bis(gold(1+));bis(triphenylphosphane)
SMILES[Au+].[Au+].[c-]1c[c-]ccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C6H4.2Au/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;;/h2*1-15H;1-3,6H;;/q;;-2;2*+1
InChIKeyWPGOTBCZBMWDIR-UHFFFAOYSA-N
MW994.62 g/mol
LogP8.17
Rot. Bonds6

About benzene;bis(gold(1+));bis(triphenylphosphane)

benzene;bis(gold(1+));bis(triphenylphosphane) (PubChem CID 11251688) has the molecular formula C42H34Au2P2 and a molecular weight of 994.62 g/mol. Its IUPAC name is benzene;bis(gold(1+));bis(triphenylphosphane).

Molecular Properties

Compound Namebenzene;bis(gold(1+));bis(triphenylphosphane)
PubChem CID11251688
Molecular FormulaC42H34Au2P2
Molecular Weight994.62 g/mol
Exact Mass994.15
IUPAC Namebenzene;bis(gold(1+));bis(triphenylphosphane)
SMILES[Au+].[Au+].[c-]1c[c-]ccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C6H4.2Au/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;;/h2*1-15H;1-3,6H;;/q;;-2;2*+1
InChIKeyWPGOTBCZBMWDIR-UHFFFAOYSA-N
XLogP8.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500994.62
LogP ≤ 58.17
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

benzene;bromopalladium(1+);bis(triphenylphosphane)
CID 24939776
triphenylphosphane
CID 139056248
rhenium;bis(triphenylphosphane);trichloride;hydrate
CID 131675016
pentakis(palladium);hexadecakis(triphenylphosphane)
CID 173116735
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
triphenylphosphane;yttrium
CID 139917776
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
CID 87948921
CID 87948921
tris(triphenylphosphane);hydrobromide
CID 172722268

Frequently Asked Questions

What is the IUPAC name of benzene;bis(gold(1+));bis(triphenylphosphane)?
The IUPAC name of benzene;bis(gold(1+));bis(triphenylphosphane) (CID 11251688) is benzene;bis(gold(1+));bis(triphenylphosphane).
What is the SMILES notation for benzene;bis(gold(1+));bis(triphenylphosphane)?
The canonical SMILES for benzene;bis(gold(1+));bis(triphenylphosphane) is [Au+].[Au+].[c-]1c[c-]ccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzene;bis(gold(1+));bis(triphenylphosphane)?
The InChIKey is WPGOTBCZBMWDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15P.C6H4.2Au/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;;/h2*1-15H;1-3,6H;;/q;;-2;2*+1.
What are the key properties of benzene;bis(gold(1+));bis(triphenylphosphane)?
benzene;bis(gold(1+));bis(triphenylphosphane) has a molecular weight of 994.62 g/mol, XLogP of 8.17, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(gold(1+));bis(triphenylphosphane) is sourced from PubChem (CID 11251688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).