4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))

C57H46Au2OP2+2 — CID 164790486

IUPAC4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1cccc2c1Cc1ccccc1-2.[C-]#Cc1cccc2c1oc1ccccc12.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28P2.C15H9.C14H7O.2Au/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-2-11-7-5-9-14-13-8-4-3-6-12(13)10-15(11)14;1-2-10-6-5-8-12-11-7-3-4-9-13(11)15-14(10)12;;/h1-12,15-22H,13-14,23-24H2;3-9H,10H2;3-9H;;/q;2*-1;2*+1/p+2
InChIKeyLIIWYJMIDOJYFU-UHFFFAOYSA-P
MW1202.88 g/mol
LogP12.21
Rot. Bonds9

About 4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))

4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+)) (PubChem CID 164790486) has the molecular formula C57H46Au2OP2+2 and a molecular weight of 1202.88 g/mol. Its IUPAC name is 4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+)).

Molecular Properties

Compound Name4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))
PubChem CID164790486
Molecular FormulaC57H46Au2OP2+2
Molecular Weight1202.88 g/mol
Exact Mass1202.23
IUPAC Name4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))
SMILES[Au+].[Au+].[C-]#Cc1cccc2c1Cc1ccccc1-2.[C-]#Cc1cccc2c1oc1ccccc12.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28P2.C15H9.C14H7O.2Au/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-2-11-7-5-9-14-13-8-4-3-6-12(13)10-15(11)14;1-2-10-6-5-8-12-11-7-3-4-9-13(11)15-14(10)12;;/h1-12,15-22H,13-14,23-24H2;3-9H,10H2;3-9H;;/q;2*-1;2*+1/p+2
InChIKeyLIIWYJMIDOJYFU-UHFFFAOYSA-P
XLogP12.21
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001202.88
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

diphenylphosphaniumylmethyl-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))
CID 164790485
(3-diphenylphosphaniumylnaphthalen-2-yl)-diphenylphosphanium;bis(1-ethynyl-9H-fluorene);bis(gold(1+))
CID 164789483
cyclohexa-2,4-dien-1-yl-(2-diphenylphosphaniumylethyl)-[(1E,3Z)-hexa-1,3,5-trienyl]phosphanium;bis(4-ethynyldibenzofuran);bis(gold(1+))
CID 164790076
3,7-bis(ethynyl)dibenzofuran;2,7-bis(ethynyl)-9H-fluorene;4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;tetrakis(gold(1+))
CID 164789437
dibenzofuran;1-phenyl-9H-fluorene
CID 175545610
4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 155609485
disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-5-phenylnaphthalene)
CID 162499763
silver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-9H-fluorene);gold(1+)
CID 164790062
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 138548317
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-9H-fluorene)
CID 164790046
32-oxaheptacyclo[20.11.0.02,7.09,14.015,20.025,33.026,31]tritriaconta-1(22),2,4,6,9,11,13,15,17,19,23,25(33),26,28,30-pentadecaene
CID 155110020
4-[3-dibenzofuran-4-yl-5-(9H-fluoren-1-yl)phenyl]-2,6-diphenylpyrimidine
CID 164945010

Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))?
The IUPAC name of 4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+)) (CID 164790486) is 4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+)).
What is the SMILES notation for 4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))?
The canonical SMILES for 4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+)) is [Au+].[Au+].[C-]#Cc1cccc2c1Cc1ccccc1-2.[C-]#Cc1cccc2c1oc1ccccc12.c1ccc([PH+](CCCC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))?
The InChIKey is LIIWYJMIDOJYFU-UHFFFAOYSA-P. The full InChI is InChI=1S/C28H28P2.C15H9.C14H7O.2Au/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-2-11-7-5-9-14-13-8-4-3-6-12(13)10-15(11)14;1-2-10-6-5-8-12-11-7-3-4-9-13(11)15-14(10)12;;/h1-12,15-22H,13-14,23-24H2;3-9H,10H2;3-9H;;/q;2*-1;2*+1/p+2.
What are the key properties of 4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))?
4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+)) has a molecular weight of 1202.88 g/mol, XLogP of 12.21, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+)) is sourced from PubChem (CID 164790486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).