(3-diphenylphosphaniumylnaphthalen-2-yl)-diphenylphosphanium;bis(1-ethynyl-9H-fluorene);bis(gold(1+))

C64H46Au2P2+2 — CID 164789483

IUPAC(3-diphenylphosphaniumylnaphthalen-2-yl)-diphenylphosphanium;bis(1-ethynyl-9H-fluorene);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1cccc2c1Cc1ccccc1-2.[C-]#Cc1cccc2c1Cc1ccccc1-2.c1ccc([PH+](c2ccccc2)c2cc3ccccc3cc2[PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H26P2.2C15H9.2Au/c1-5-17-29(18-6-1)35(30-19-7-2-8-20-30)33-25-27-15-13-14-16-28(27)26-34(33)36(31-21-9-3-10-22-31)32-23-11-4-12-24-32;2*1-2-11-7-5-9-14-13-8-4-3-6-12(13)10-15(11)14;;/h1-26H;2*3-9H,10H2;;/q;2*-1;2*+1/p+2
InChIKeyQZAYCICMXFVFCT-UHFFFAOYSA-P
MW1270.95 g/mol
LogP12.21
Rot. Bonds6

About (3-diphenylphosphaniumylnaphthalen-2-yl)-diphenylphosphanium;bis(1-ethynyl-9H-fluorene);bis(gold(1+))

(3-diphenylphosphaniumylnaphthalen-2-yl)-diphenylphosphanium;bis(1-ethynyl-9H-fluorene);bis(gold(1+)) (PubChem CID 164789483) has the molecular formula C64H46Au2P2+2 and a molecular weight of 1270.95 g/mol. Its IUPAC name is (3-diphenylphosphaniumylnaphthalen-2-yl)-diphenylphosphanium;bis(1-ethynyl-9H-fluorene);bis(gold(1+)).

Molecular Properties

Compound Name(3-diphenylphosphaniumylnaphthalen-2-yl)-diphenylphosphanium;bis(1-ethynyl-9H-fluorene);bis(gold(1+))
PubChem CID164789483
Molecular FormulaC64H46Au2P2+2
Molecular Weight1270.95 g/mol
Exact Mass1270.24
IUPAC Name(3-diphenylphosphaniumylnaphthalen-2-yl)-diphenylphosphanium;bis(1-ethynyl-9H-fluorene);bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1cccc2c1Cc1ccccc1-2.[C-]#Cc1cccc2c1Cc1ccccc1-2.c1ccc([PH+](c2ccccc2)c2cc3ccccc3cc2[PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H26P2.2C15H9.2Au/c1-5-17-29(18-6-1)35(30-19-7-2-8-20-30)33-25-27-15-13-14-16-28(27)26-34(33)36(31-21-9-3-10-22-31)32-23-11-4-12-24-32;2*1-2-11-7-5-9-14-13-8-4-3-6-12(13)10-15(11)14;;/h1-26H;2*3-9H,10H2;;/q;2*-1;2*+1/p+2
InChIKeyQZAYCICMXFVFCT-UHFFFAOYSA-P
XLogP12.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001270.95
LogP ≤ 512.21
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))
CID 164790486
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-prop-1-ynyl-9H-fluorene
CID 151757411
silver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-9H-fluorene);gold(1+)
CID 164790062
bis((2-diphenylphosphaniumyl-9-phenylcarbazol-3-yl)-diphenylphosphanium);2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(4-ethynyl-9H-fluorene);tetrakis(gold(1+))
CID 164984764
3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile
CID 141495090
(2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))
CID 164790051
2-(9H-fluoren-1-yl)anthracene
CID 151119003
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-9H-fluorene)
CID 164790046
diphenylphosphaniumylmethyl-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))
CID 164790485
(2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(1-ethynyldibenzofuran);bis(gold(1+))
CID 164790350
(2-diphenylphosphaniumylphenyl)-diphenylphosphanium;6-ethynylchrysene;9-ethynylphenanthrene;bis(gold(1+))
CID 162499487

Frequently Asked Questions

What is the IUPAC name of (3-diphenylphosphaniumylnaphthalen-2-yl)-diphenylphosphanium;bis(1-ethynyl-9H-fluorene);bis(gold(1+))?
The IUPAC name of (3-diphenylphosphaniumylnaphthalen-2-yl)-diphenylphosphanium;bis(1-ethynyl-9H-fluorene);bis(gold(1+)) (CID 164789483) is (3-diphenylphosphaniumylnaphthalen-2-yl)-diphenylphosphanium;bis(1-ethynyl-9H-fluorene);bis(gold(1+)).
What is the SMILES notation for (3-diphenylphosphaniumylnaphthalen-2-yl)-diphenylphosphanium;bis(1-ethynyl-9H-fluorene);bis(gold(1+))?
The canonical SMILES for (3-diphenylphosphaniumylnaphthalen-2-yl)-diphenylphosphanium;bis(1-ethynyl-9H-fluorene);bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1cccc2c1Cc1ccccc1-2.[C-]#Cc1cccc2c1Cc1ccccc1-2.c1ccc([PH+](c2ccccc2)c2cc3ccccc3cc2[PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (3-diphenylphosphaniumylnaphthalen-2-yl)-diphenylphosphanium;bis(1-ethynyl-9H-fluorene);bis(gold(1+))?
The InChIKey is QZAYCICMXFVFCT-UHFFFAOYSA-P. The full InChI is InChI=1S/C34H26P2.2C15H9.2Au/c1-5-17-29(18-6-1)35(30-19-7-2-8-20-30)33-25-27-15-13-14-16-28(27)26-34(33)36(31-21-9-3-10-22-31)32-23-11-4-12-24-32;2*1-2-11-7-5-9-14-13-8-4-3-6-12(13)10-15(11)14;;/h1-26H;2*3-9H,10H2;;/q;2*-1;2*+1/p+2.
What are the key properties of (3-diphenylphosphaniumylnaphthalen-2-yl)-diphenylphosphanium;bis(1-ethynyl-9H-fluorene);bis(gold(1+))?
(3-diphenylphosphaniumylnaphthalen-2-yl)-diphenylphosphanium;bis(1-ethynyl-9H-fluorene);bis(gold(1+)) has a molecular weight of 1270.95 g/mol, XLogP of 12.21, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diphenylphosphaniumylnaphthalen-2-yl)-diphenylphosphanium;bis(1-ethynyl-9H-fluorene);bis(gold(1+)) is sourced from PubChem (CID 164789483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).