benzene;[4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;bis(gold(1+))

C44H38Au2P2 — CID 135082503

IUPACbenzene;[4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;bis(gold(1+))
SMILES[Au+].[Au+].[c-]1ccccc1.[c-]1ccccc1.c1ccc(P(Cc2ccc(CP(c3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C32H28P2.2C6H5.2Au/c1-5-13-29(14-6-1)33(30-15-7-2-8-16-30)25-27-21-23-28(24-22-27)26-34(31-17-9-3-10-18-31)32-19-11-4-12-20-32;2*1-2-4-6-5-3-1;;/h1-24H,25-26H2;2*1-5H;;/q;2*-1;2*+1
InChIKeyCNOOLMVTKSZYAQ-UHFFFAOYSA-N
MW1022.67 g/mol
LogP9.92
Rot. Bonds8

About benzene;[4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;bis(gold(1+))

benzene;[4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;bis(gold(1+)) (PubChem CID 135082503) has the molecular formula C44H38Au2P2 and a molecular weight of 1022.67 g/mol. Its IUPAC name is benzene;[4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;bis(gold(1+)).

Molecular Properties

Compound Namebenzene;[4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;bis(gold(1+))
PubChem CID135082503
Molecular FormulaC44H38Au2P2
Molecular Weight1022.67 g/mol
Exact Mass1022.18
IUPAC Namebenzene;[4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;bis(gold(1+))
SMILES[Au+].[Au+].[c-]1ccccc1.[c-]1ccccc1.c1ccc(P(Cc2ccc(CP(c3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C32H28P2.2C6H5.2Au/c1-5-13-29(14-6-1)33(30-15-7-2-8-16-30)25-27-21-23-28(24-22-27)26-34(31-17-9-3-10-18-31)32-19-11-4-12-20-32;2*1-2-4-6-5-3-1;;/h1-24H,25-26H2;2*1-5H;;/q;2*-1;2*+1
InChIKeyCNOOLMVTKSZYAQ-UHFFFAOYSA-N
XLogP9.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001022.67
LogP ≤ 59.92
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

bis(benzyl(diphenyl)phosphane);dichloropalladium
CID 134992154
[2,6-dichloro-4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane
CID 139626936
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
benzene;2-diphenylphosphanylethyl(diphenyl)phosphane;palladium(2+);2-phenylethynethiolate
CID 134927789
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
benzene;cyclopentane;2-diphenylphosphanylethyl(diphenyl)phosphane;ethynylcyclopentane;iron(2+);platinum(2+)
CID 23229290
benzene;bromopalladium(1+);bis(triphenylphosphane)
CID 24939776
[5-(diphenylphosphanylmethyl)-3-pyridinyl]methyl-diphenylphosphane
CID 15763240
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
2-diphenylphosphanylethyl(diphenyl)phosphane;iodopalladium(1+);methylbenzene
CID 15351395
benzyl-bis(4-methoxyphenyl)phosphane
CID 19835460
2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride
CID 11981349

Frequently Asked Questions

What is the IUPAC name of benzene;[4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;bis(gold(1+))?
The IUPAC name of benzene;[4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;bis(gold(1+)) (CID 135082503) is benzene;[4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;bis(gold(1+)).
What is the SMILES notation for benzene;[4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;bis(gold(1+))?
The canonical SMILES for benzene;[4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;bis(gold(1+)) is [Au+].[Au+].[c-]1ccccc1.[c-]1ccccc1.c1ccc(P(Cc2ccc(CP(c3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1.
What is the InChIKey of benzene;[4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;bis(gold(1+))?
The InChIKey is CNOOLMVTKSZYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28P2.2C6H5.2Au/c1-5-13-29(14-6-1)33(30-15-7-2-8-16-30)25-27-21-23-28(24-22-27)26-34(31-17-9-3-10-18-31)32-19-11-4-12-20-32;2*1-2-4-6-5-3-1;;/h1-24H,25-26H2;2*1-5H;;/q;2*-1;2*+1.
What are the key properties of benzene;[4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;bis(gold(1+))?
benzene;[4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;bis(gold(1+)) has a molecular weight of 1022.67 g/mol, XLogP of 9.92, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;[4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;bis(gold(1+)) is sourced from PubChem (CID 135082503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).