diphenylphosphaniumylmethyl-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))

C54H44Au2OP2+2 — CID 164790485

IUPACdiphenylphosphaniumylmethyl-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))
SMILESC/C=C\C(=C/C)[PH+](C[PH+](c1ccccc1)c1ccccc1)c1ccccc1.[Au+].[Au+].[C-]#Cc1cccc2c1Cc1ccccc1-2.[C-]#Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C25H26P2.C15H9.C14H7O.2Au/c1-3-14-22(4-2)26(23-15-8-5-9-16-23)21-27(24-17-10-6-11-18-24)25-19-12-7-13-20-25;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;;/h3-20H,21H2,1-2H3;3-9H,10H2;3-9H;;/q;2*-1;2*+1/p+2/b14-3-,22-4+;;;;
InChIKeyNGWNNEOYCJOHTF-TVPMLVEMSA-P
MW1164.83 g/mol
LogP12.54
Rot. Bonds7

About diphenylphosphaniumylmethyl-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))

diphenylphosphaniumylmethyl-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+)) (PubChem CID 164790485) has the molecular formula C54H44Au2OP2+2 and a molecular weight of 1164.83 g/mol. Its IUPAC name is diphenylphosphaniumylmethyl-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+)).

Molecular Properties

Compound Namediphenylphosphaniumylmethyl-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))
PubChem CID164790485
Molecular FormulaC54H44Au2OP2+2
Molecular Weight1164.83 g/mol
Exact Mass1164.22
IUPAC Namediphenylphosphaniumylmethyl-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))
SMILESC/C=C\C(=C/C)[PH+](C[PH+](c1ccccc1)c1ccccc1)c1ccccc1.[Au+].[Au+].[C-]#Cc1cccc2c1Cc1ccccc1-2.[C-]#Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C25H26P2.C15H9.C14H7O.2Au/c1-3-14-22(4-2)26(23-15-8-5-9-16-23)21-27(24-17-10-6-11-18-24)25-19-12-7-13-20-25;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;;/h3-20H,21H2,1-2H3;3-9H,10H2;3-9H;;/q;2*-1;2*+1/p+2/b14-3-,22-4+;;;;
InChIKeyNGWNNEOYCJOHTF-TVPMLVEMSA-P
XLogP12.54
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001164.83
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', '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
silver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-9H-fluorene);gold(1+)
CID 164790062
(3-diphenylphosphaniumylnaphthalen-2-yl)-diphenylphosphanium;bis(1-ethynyl-9H-fluorene);bis(gold(1+))
CID 164789483
dibenzofuran;1-phenyl-9H-fluorene
CID 175545610
cyclohexa-2,4-dien-1-yl-(2-diphenylphosphaniumylethyl)-[(1E,3Z)-hexa-1,3,5-trienyl]phosphanium;bis(4-ethynyldibenzofuran);bis(gold(1+))
CID 164790076
4-[4-[4-[[4-[4-(9H-fluoren-1-yl)phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 155609485
(2-diphenylphosphaniumylphenyl)-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;bis(3-ethynyldibenzofuran);bis(gold(1+))
CID 164790096
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9H-fluoren-1-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 138548317
6-N-dibenzofuran-4-yl-11-N-(9H-fluoren-1-yl)-6-N,11-N-diphenylnaphtho[3,2-b][1]benzofuran-6,11-diamine
CID 90262521
6-[3-(2-cyanophenyl)-5-dibenzofuran-4-ylphenyl]dibenzofuran-4-carbonitrile
CID 146353713
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 diphenylphosphaniumylmethyl-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))?
The IUPAC name of diphenylphosphaniumylmethyl-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+)) (CID 164790485) is diphenylphosphaniumylmethyl-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+)).
What is the SMILES notation for diphenylphosphaniumylmethyl-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))?
The canonical SMILES for diphenylphosphaniumylmethyl-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+)) is C/C=C\C(=C/C)[PH+](C[PH+](c1ccccc1)c1ccccc1)c1ccccc1.[Au+].[Au+].[C-]#Cc1cccc2c1Cc1ccccc1-2.[C-]#Cc1cccc2c1oc1ccccc12.
What is the InChIKey of diphenylphosphaniumylmethyl-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))?
The InChIKey is NGWNNEOYCJOHTF-TVPMLVEMSA-P. The full InChI is InChI=1S/C25H26P2.C15H9.C14H7O.2Au/c1-3-14-22(4-2)26(23-15-8-5-9-16-23)21-27(24-17-10-6-11-18-24)25-19-12-7-13-20-25;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;;/h3-20H,21H2,1-2H3;3-9H,10H2;3-9H;;/q;2*-1;2*+1/p+2/b14-3-,22-4+;;;;.
What are the key properties of diphenylphosphaniumylmethyl-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))?
diphenylphosphaniumylmethyl-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+)) has a molecular weight of 1164.83 g/mol, XLogP of 12.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphaniumylmethyl-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+)) is sourced from PubChem (CID 164790485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).