disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;1-ethynylphenanthrene;9-ethynylphenanthrene

C57H42Ag2P2+2 — CID 162499694

IUPACdisilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;1-ethynylphenanthrene;9-ethynylphenanthrene
SMILES[Ag+].[Ag+].[C-]#Cc1cc2ccccc2c2ccccc12.[C-]#Cc1cccc2c1ccc1ccccc12.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.2C16H9.2Ag/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16;1-2-12-7-5-9-16-14-8-4-3-6-13(14)10-11-15(12)16;;/h1-20H,21H2;2*3-11H;;/q;2*-1;2*+1/p+2
InChIKeyWMMMJYJPHZYJMM-UHFFFAOYSA-P
MW1004.65 g/mol
LogP12.53
Rot. Bonds6

About disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;1-ethynylphenanthrene;9-ethynylphenanthrene

disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;1-ethynylphenanthrene;9-ethynylphenanthrene (PubChem CID 162499694) has the molecular formula C57H42Ag2P2+2 and a molecular weight of 1004.65 g/mol. Its IUPAC name is disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;1-ethynylphenanthrene;9-ethynylphenanthrene.

Molecular Properties

Compound Namedisilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;1-ethynylphenanthrene;9-ethynylphenanthrene
PubChem CID162499694
Molecular FormulaC57H42Ag2P2+2
Molecular Weight1004.65 g/mol
Exact Mass1002.09
IUPAC Namedisilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;1-ethynylphenanthrene;9-ethynylphenanthrene
SMILES[Ag+].[Ag+].[C-]#Cc1cc2ccccc2c2ccccc12.[C-]#Cc1cccc2c1ccc1ccccc12.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.2C16H9.2Ag/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16;1-2-12-7-5-9-16-14-8-4-3-6-13(14)10-11-15(12)16;;/h1-20H,21H2;2*3-11H;;/q;2*-1;2*+1/p+2
InChIKeyWMMMJYJPHZYJMM-UHFFFAOYSA-P
XLogP12.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001004.65
LogP ≤ 512.53
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

silver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(9-ethynylphenanthrene);gold(1+)
CID 162499383
hexasilver;tris(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);bis(1-ethynylchrysene);bis(2-ethynylchrysene);bis(5-ethynylchrysene)
CID 163797382
tris(2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(9-ethynylphenanthrene);hexakis(gold(1+))
CID 163943977
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+))
CID 162499487
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
CID 162499405
disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyltetracene)
CID 162499534
silver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(2-ethynylphenanthrene);gold(1+)
CID 162499526
silver 1-ethynylnaphthalene
CID 15597420
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))
CID 162499734
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(gold(1+))
CID 162499688
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+))
CID 162499562
(3-diphenylphosphaniumyl-5,6,7,8-tetrahydronaphthalen-2-yl)-diphenylphosphanium;bis(6-ethynylchrysene);bis(gold(1+))
CID 162499417

Frequently Asked Questions

What is the IUPAC name of disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;1-ethynylphenanthrene;9-ethynylphenanthrene?
The IUPAC name of disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;1-ethynylphenanthrene;9-ethynylphenanthrene (CID 162499694) is disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;1-ethynylphenanthrene;9-ethynylphenanthrene.
What is the SMILES notation for disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;1-ethynylphenanthrene;9-ethynylphenanthrene?
The canonical SMILES for disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;1-ethynylphenanthrene;9-ethynylphenanthrene is [Ag+].[Ag+].[C-]#Cc1cc2ccccc2c2ccccc12.[C-]#Cc1cccc2c1ccc1ccccc12.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;1-ethynylphenanthrene;9-ethynylphenanthrene?
The InChIKey is WMMMJYJPHZYJMM-UHFFFAOYSA-P. The full InChI is InChI=1S/C25H22P2.2C16H9.2Ag/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16;1-2-12-7-5-9-16-14-8-4-3-6-13(14)10-11-15(12)16;;/h1-20H,21H2;2*3-11H;;/q;2*-1;2*+1/p+2.
What are the key properties of disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;1-ethynylphenanthrene;9-ethynylphenanthrene?
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;1-ethynylphenanthrene;9-ethynylphenanthrene has a molecular weight of 1004.65 g/mol, XLogP of 12.53, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;1-ethynylphenanthrene;9-ethynylphenanthrene is sourced from PubChem (CID 162499694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).