hexakis((3-diphenylphosphaniumyl-2,3-dimethylbutan-2-yl)-diphenylphosphanium);2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(6-ethynylchrysene);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(3-ethynylphenanthrene);bis(4-ethynylphenanthrene);bis(9-ethynylphenanthrene);tetradecakis(gold(1+))

C439H362Au14P14+14 — CID 163987666

IUPAChexakis((3-diphenylphosphaniumyl-2,3-dimethylbutan-2-yl)-diphenylphosphanium);2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(6-ethynylchrysene);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(3-ethynylphenanthrene);bis(4-ethynylphenanthrene);bis(9-ethynylphenanthrene);tetradecakis(gold(1+))
SMILESCC(C)([PH+](c1ccccc1)c1ccccc1)C(C)(C)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)C(C)(C)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)C(C)(C)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)C(C)(C)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)C(C)(C)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)C(C)(C)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1cc2c3ccccc3ccc2c2ccccc12.[C-]#Cc1cc2c3ccccc3ccc2c2ccccc12.[C-]#Cc1cc2ccccc2c2ccccc12.[C-]#Cc1cc2ccccc2c2ccccc12.[C-]#Cc1ccc2c(ccc3ccccc32)c1.[C-]#Cc1ccc2c(ccc3ccccc32)c1.[C-]#Cc1ccc2ccc3ccccc3c2c1.[C-]#Cc1ccc2ccc3ccccc3c2c1.[C-]#Cc1cccc2c1ccc1ccccc12.[C-]#Cc1cccc2c1ccc1ccccc12.[C-]#Cc1cccc2ccc3ccccc3c12.[C-]#Cc1cccc2ccc3ccccc3c12
InChIInChI=1S/6C30H32P2.C27H26P2.2C20H11.12C16H9.14Au/c6*1-29(2,31(25-17-9-5-10-18-25)26-19-11-6-12-20-26)30(3,4)32(27-21-13-7-14-22-27)28-23-15-8-16-24-28;1-27(2,28(23-15-7-3-8-16-23)24-17-9-4-10-18-24)29(25-19-11-5-12-20-25)26-21-13-6-14-22-26;2*1-2-14-13-20-17-9-4-3-7-15(17)11-12-19(20)18-10-6-5-8-16(14)18;2*1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;2*1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16;2*1-2-12-7-5-8-14-11-10-13-6-3-4-9-15(13)16(12)14;2*1-2-12-7-5-9-16-14-8-4-3-6-13(14)10-11-15(12)16;2*1-2-12-7-10-16-14(11-12)9-8-13-5-3-4-6-15(13)16;2*1-2-12-7-8-14-10-9-13-5-3-4-6-15(13)16(14)11-12;;;;;;;;;;;;;;/h6*5-24H,1-4H3;3-22H,1-2H3;2*3-13H;12*3-11H;;;;;;;;;;;;;;/q;;;;;;;14*-1;14*+1/p+14
InChIKeyVENTXFNDKVVAOB-UHFFFAOYSA-A
MW8828.90 g/mol
LogP100.40
Rot. Bonds48

About hexakis((3-diphenylphosphaniumyl-2,3-dimethylbutan-2-yl)-diphenylphosphanium);2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(6-ethynylchrysene);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(3-ethynylphenanthrene);bis(4-ethynylphenanthrene);bis(9-ethynylphenanthrene);tetradecakis(gold(1+))

hexakis((3-diphenylphosphaniumyl-2,3-dimethylbutan-2-yl)-diphenylphosphanium);2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(6-ethynylchrysene);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(3-ethynylphenanthrene);bis(4-ethynylphenanthrene);bis(9-ethynylphenanthrene);tetradecakis(gold(1+)) (PubChem CID 163987666) has the molecular formula C439H362Au14P14+14 and a molecular weight of 8828.90 g/mol. Its IUPAC name is hexakis((3-diphenylphosphaniumyl-2,3-dimethylbutan-2-yl)-diphenylphosphanium);2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(6-ethynylchrysene);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(3-ethynylphenanthrene);bis(4-ethynylphenanthrene);bis(9-ethynylphenanthrene);tetradecakis(gold(1+)).

Molecular Properties

Compound Namehexakis((3-diphenylphosphaniumyl-2,3-dimethylbutan-2-yl)-diphenylphosphanium);2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(6-ethynylchrysene);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(3-ethynylphenanthrene);bis(4-ethynylphenanthrene);bis(9-ethynylphenanthrene);tetradecakis(gold(1+))
PubChem CID163987666
Molecular FormulaC439H362Au14P14+14
Molecular Weight8828.90 g/mol
Exact Mass8823.99
IUPAC Namehexakis((3-diphenylphosphaniumyl-2,3-dimethylbutan-2-yl)-diphenylphosphanium);2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(6-ethynylchrysene);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(3-ethynylphenanthrene);bis(4-ethynylphenanthrene);bis(9-ethynylphenanthrene);tetradecakis(gold(1+))
SMILESCC(C)([PH+](c1ccccc1)c1ccccc1)C(C)(C)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)C(C)(C)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)C(C)(C)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)C(C)(C)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)C(C)(C)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)C(C)(C)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1cc2c3ccccc3ccc2c2ccccc12.[C-]#Cc1cc2c3ccccc3ccc2c2ccccc12.[C-]#Cc1cc2ccccc2c2ccccc12.[C-]#Cc1cc2ccccc2c2ccccc12.[C-]#Cc1ccc2c(ccc3ccccc32)c1.[C-]#Cc1ccc2c(ccc3ccccc32)c1.[C-]#Cc1ccc2ccc3ccccc3c2c1.[C-]#Cc1ccc2ccc3ccccc3c2c1.[C-]#Cc1cccc2c1ccc1ccccc12.[C-]#Cc1cccc2c1ccc1ccccc12.[C-]#Cc1cccc2ccc3ccccc3c12.[C-]#Cc1cccc2ccc3ccccc3c12
InChIInChI=1S/6C30H32P2.C27H26P2.2C20H11.12C16H9.14Au/c6*1-29(2,31(25-17-9-5-10-18-25)26-19-11-6-12-20-26)30(3,4)32(27-21-13-7-14-22-27)28-23-15-8-16-24-28;1-27(2,28(23-15-7-3-8-16-23)24-17-9-4-10-18-24)29(25-19-11-5-12-20-25)26-21-13-6-14-22-26;2*1-2-14-13-20-17-9-4-3-7-15(17)11-12-19(20)18-10-6-5-8-16(14)18;2*1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;2*1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16;2*1-2-12-7-5-8-14-11-10-13-6-3-4-9-15(13)16(12)14;2*1-2-12-7-5-9-16-14-8-4-3-6-13(14)10-11-15(12)16;2*1-2-12-7-10-16-14(11-12)9-8-13-5-3-4-6-15(13)16;2*1-2-12-7-8-14-10-9-13-5-3-4-6-15(13)16(14)11-12;;;;;;;;;;;;;;/h6*5-24H,1-4H3;3-22H,1-2H3;2*3-13H;12*3-11H;;;;;;;;;;;;;;/q;;;;;;;14*-1;14*+1/p+14
InChIKeyVENTXFNDKVVAOB-UHFFFAOYSA-A
XLogP100.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds48
Heavy Atoms467
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5008828.90
LogP ≤ 5100.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze hexakis((3-diphenylphosphaniumyl-2,3-dimethylbutan-2-yl)-diphenylphosphanium);2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(6-ethynylchrysene);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(3-ethynylphenanthrene);bis(4-ethynylphenanthrene);bis(9-ethynylphenanthrene);tetradecakis(gold(1+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexakis((3-diphenylphosphaniumyl-2,3-dimethylbutan-2-yl)-diphenylphosphanium);2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(6-ethynylchrysene);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(3-ethynylphenanthrene);bis(4-ethynylphenanthrene);bis(9-ethynylphenanthrene);tetradecakis(gold(1+))?
The IUPAC name of hexakis((3-diphenylphosphaniumyl-2,3-dimethylbutan-2-yl)-diphenylphosphanium);2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(6-ethynylchrysene);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(3-ethynylphenanthrene);bis(4-ethynylphenanthrene);bis(9-ethynylphenanthrene);tetradecakis(gold(1+)) (CID 163987666) is hexakis((3-diphenylphosphaniumyl-2,3-dimethylbutan-2-yl)-diphenylphosphanium);2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(6-ethynylchrysene);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(3-ethynylphenanthrene);bis(4-ethynylphenanthrene);bis(9-ethynylphenanthrene);tetradecakis(gold(1+)).
What is the SMILES notation for hexakis((3-diphenylphosphaniumyl-2,3-dimethylbutan-2-yl)-diphenylphosphanium);2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(6-ethynylchrysene);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(3-ethynylphenanthrene);bis(4-ethynylphenanthrene);bis(9-ethynylphenanthrene);tetradecakis(gold(1+))?
The canonical SMILES for hexakis((3-diphenylphosphaniumyl-2,3-dimethylbutan-2-yl)-diphenylphosphanium);2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(6-ethynylchrysene);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(3-ethynylphenanthrene);bis(4-ethynylphenanthrene);bis(9-ethynylphenanthrene);tetradecakis(gold(1+)) is CC(C)([PH+](c1ccccc1)c1ccccc1)C(C)(C)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)C(C)(C)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)C(C)(C)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)C(C)(C)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)C(C)(C)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)C(C)(C)[PH+](c1ccccc1)c1ccccc1.CC(C)([PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1c2ccccc2cc2ccccc12.[C-]#Cc1cc2c3ccccc3ccc2c2ccccc12.[C-]#Cc1cc2c3ccccc3ccc2c2ccccc12.[C-]#Cc1cc2ccccc2c2ccccc12.[C-]#Cc1cc2ccccc2c2ccccc12.[C-]#Cc1ccc2c(ccc3ccccc32)c1.[C-]#Cc1ccc2c(ccc3ccccc32)c1.[C-]#Cc1ccc2ccc3ccccc3c2c1.[C-]#Cc1ccc2ccc3ccccc3c2c1.[C-]#Cc1cccc2c1ccc1ccccc12.[C-]#Cc1cccc2c1ccc1ccccc12.[C-]#Cc1cccc2ccc3ccccc3c12.[C-]#Cc1cccc2ccc3ccccc3c12.
What is the InChIKey of hexakis((3-diphenylphosphaniumyl-2,3-dimethylbutan-2-yl)-diphenylphosphanium);2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(6-ethynylchrysene);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(3-ethynylphenanthrene);bis(4-ethynylphenanthrene);bis(9-ethynylphenanthrene);tetradecakis(gold(1+))?
The InChIKey is VENTXFNDKVVAOB-UHFFFAOYSA-A. The full InChI is InChI=1S/6C30H32P2.C27H26P2.2C20H11.12C16H9.14Au/c6*1-29(2,31(25-17-9-5-10-18-25)26-19-11-6-12-20-26)30(3,4)32(27-21-13-7-14-22-27)28-23-15-8-16-24-28;1-27(2,28(23-15-7-3-8-16-23)24-17-9-4-10-18-24)29(25-19-11-5-12-20-25)26-21-13-6-14-22-26;2*1-2-14-13-20-17-9-4-3-7-15(17)11-12-19(20)18-10-6-5-8-16(14)18;2*1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14;2*1-2-12-11-13-7-3-4-9-15(13)16-10-6-5-8-14(12)16;2*1-2-12-7-5-8-14-11-10-13-6-3-4-9-15(13)16(12)14;2*1-2-12-7-5-9-16-14-8-4-3-6-13(14)10-11-15(12)16;2*1-2-12-7-10-16-14(11-12)9-8-13-5-3-4-6-15(13)16;2*1-2-12-7-8-14-10-9-13-5-3-4-6-15(13)16(14)11-12;;;;;;;;;;;;;;/h6*5-24H,1-4H3;3-22H,1-2H3;2*3-13H;12*3-11H;;;;;;;;;;;;;;/q;;;;;;;14*-1;14*+1/p+14.
What are the key properties of hexakis((3-diphenylphosphaniumyl-2,3-dimethylbutan-2-yl)-diphenylphosphanium);2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(6-ethynylchrysene);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(3-ethynylphenanthrene);bis(4-ethynylphenanthrene);bis(9-ethynylphenanthrene);tetradecakis(gold(1+))?
hexakis((3-diphenylphosphaniumyl-2,3-dimethylbutan-2-yl)-diphenylphosphanium);2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(6-ethynylchrysene);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(3-ethynylphenanthrene);bis(4-ethynylphenanthrene);bis(9-ethynylphenanthrene);tetradecakis(gold(1+)) has a molecular weight of 8828.90 g/mol, XLogP of 100.40, 48 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis((3-diphenylphosphaniumyl-2,3-dimethylbutan-2-yl)-diphenylphosphanium);2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(9-ethynylanthracene);bis(6-ethynylchrysene);bis(1-ethynylphenanthrene);bis(2-ethynylphenanthrene);bis(3-ethynylphenanthrene);bis(4-ethynylphenanthrene);bis(9-ethynylphenanthrene);tetradecakis(gold(1+)) is sourced from PubChem (CID 163987666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).