cyclohexa-2,4-dien-1-yl-(2-diphenylphosphaniumylethyl)-[(1E,3Z)-hexa-1,3,5-trienyl]phosphanium;bis(4-ethynyldibenzofuran);bis(gold(1+))

C54H44Au2O2P2+2 — CID 164790076

IUPACcyclohexa-2,4-dien-1-yl-(2-diphenylphosphaniumylethyl)-[(1E,3Z)-hexa-1,3,5-trienyl]phosphanium;bis(4-ethynyldibenzofuran);bis(gold(1+))
SMILESC=C/C=C\C=C\[PH+](CC[PH+](c1ccccc1)c1ccccc1)C1C=CC=CC1.[Au+].[Au+].[C-]#Cc1cccc2c1oc1ccccc12.[C-]#Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C26H28P2.2C14H7O.2Au/c1-2-3-4-14-21-27(24-15-8-5-9-16-24)22-23-28(25-17-10-6-11-18-25)26-19-12-7-13-20-26;2*1-2-10-6-5-8-12-11-7-3-4-9-13(11)15-14(10)12;;/h2-15,17-21,24H,1,16,22-23H2;2*3-9H;;/q;2*-1;2*+1/p+2/b4-3-,21-14+;;;;
InChIKeyPKODESPRKZYWBC-GNCWKRTPSA-P
MW1180.83 g/mol
LogP13.25
Rot. Bonds9

About cyclohexa-2,4-dien-1-yl-(2-diphenylphosphaniumylethyl)-[(1E,3Z)-hexa-1,3,5-trienyl]phosphanium;bis(4-ethynyldibenzofuran);bis(gold(1+))

cyclohexa-2,4-dien-1-yl-(2-diphenylphosphaniumylethyl)-[(1E,3Z)-hexa-1,3,5-trienyl]phosphanium;bis(4-ethynyldibenzofuran);bis(gold(1+)) (PubChem CID 164790076) has the molecular formula C54H44Au2O2P2+2 and a molecular weight of 1180.83 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-yl-(2-diphenylphosphaniumylethyl)-[(1E,3Z)-hexa-1,3,5-trienyl]phosphanium;bis(4-ethynyldibenzofuran);bis(gold(1+)).

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-yl-(2-diphenylphosphaniumylethyl)-[(1E,3Z)-hexa-1,3,5-trienyl]phosphanium;bis(4-ethynyldibenzofuran);bis(gold(1+))
PubChem CID164790076
Molecular FormulaC54H44Au2O2P2+2
Molecular Weight1180.83 g/mol
Exact Mass1180.21
IUPAC Namecyclohexa-2,4-dien-1-yl-(2-diphenylphosphaniumylethyl)-[(1E,3Z)-hexa-1,3,5-trienyl]phosphanium;bis(4-ethynyldibenzofuran);bis(gold(1+))
SMILESC=C/C=C\C=C\[PH+](CC[PH+](c1ccccc1)c1ccccc1)C1C=CC=CC1.[Au+].[Au+].[C-]#Cc1cccc2c1oc1ccccc12.[C-]#Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C26H28P2.2C14H7O.2Au/c1-2-3-4-14-21-27(24-15-8-5-9-16-24)22-23-28(25-17-10-6-11-18-25)26-19-12-7-13-20-26;2*1-2-10-6-5-8-12-11-7-3-4-9-13(11)15-14(10)12;;/h2-15,17-21,24H,1,16,22-23H2;2*3-9H;;/q;2*-1;2*+1/p+2/b4-3-,21-14+;;;;
InChIKeyPKODESPRKZYWBC-GNCWKRTPSA-P
XLogP13.25
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001180.83
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze cyclohexa-2,4-dien-1-yl-(2-diphenylphosphaniumylethyl)-[(1E,3Z)-hexa-1,3,5-trienyl]phosphanium;bis(4-ethynyldibenzofuran);bis(gold(1+)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))
CID 164790486
diphenylphosphaniumylmethyl-[(2E,4Z)-hexa-2,4-dien-3-yl]-phenylphosphanium;4-ethynyldibenzofuran;1-ethynyl-9H-fluorene;bis(gold(1+))
CID 164790485
disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-5-phenylnaphthalene)
CID 162499763
disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyltetracene)
CID 162499534
silver;diphenylphosphaniumylmethyl-[(1E,3Z)-hexa-1,3,5-trienyl]-phenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;gold(1+)
CID 164789578
3,7-bis(ethynyl)dibenzofuran;2,7-bis(ethynyl)-9H-fluorene;4-diphenylphosphaniumylbutyl(diphenyl)phosphanium;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;tetrakis(gold(1+))
CID 164789437
silver;cyclohexa-1,5-dien-1-yl-[[cyclohexa-2,4-dien-1-yl(phenyl)phosphaniumyl]methyl]-phenylphosphanium;bis(3-ethynyl-9,9-dimethylfluorene);gold(1+)
CID 164789848
6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran
CID 175970496
12-[5-(N-cyclohexa-2,4-dien-1-ylanilino)benzo[10]annulen-12-yl]-N-[(1E,3Z)-hexa-1,3,5-trienyl]-N-phenylbenzo[10]annulen-5-amine
CID 121444404
cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumyldibenzofuran-2-yl)-phenylphosphanium;3-ethynyl-2,9-dihydro-1H-fluorene;2-ethynyl-9H-fluorene;bis(gold(1+))
CID 164790331
4-[3-dibenzofuran-4-yl-5-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;(3Z)-hexa-1,3,5-triene
CID 144795077
dibenzofuran-4-yl-methyl-phenyl-(2,4,6-trimethylphenyl)imino-λ5-phosphane
CID 139136093

Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-yl-(2-diphenylphosphaniumylethyl)-[(1E,3Z)-hexa-1,3,5-trienyl]phosphanium;bis(4-ethynyldibenzofuran);bis(gold(1+))?
The IUPAC name of cyclohexa-2,4-dien-1-yl-(2-diphenylphosphaniumylethyl)-[(1E,3Z)-hexa-1,3,5-trienyl]phosphanium;bis(4-ethynyldibenzofuran);bis(gold(1+)) (CID 164790076) is cyclohexa-2,4-dien-1-yl-(2-diphenylphosphaniumylethyl)-[(1E,3Z)-hexa-1,3,5-trienyl]phosphanium;bis(4-ethynyldibenzofuran);bis(gold(1+)).
What is the SMILES notation for cyclohexa-2,4-dien-1-yl-(2-diphenylphosphaniumylethyl)-[(1E,3Z)-hexa-1,3,5-trienyl]phosphanium;bis(4-ethynyldibenzofuran);bis(gold(1+))?
The canonical SMILES for cyclohexa-2,4-dien-1-yl-(2-diphenylphosphaniumylethyl)-[(1E,3Z)-hexa-1,3,5-trienyl]phosphanium;bis(4-ethynyldibenzofuran);bis(gold(1+)) is C=C/C=C\C=C\[PH+](CC[PH+](c1ccccc1)c1ccccc1)C1C=CC=CC1.[Au+].[Au+].[C-]#Cc1cccc2c1oc1ccccc12.[C-]#Cc1cccc2c1oc1ccccc12.
What is the InChIKey of cyclohexa-2,4-dien-1-yl-(2-diphenylphosphaniumylethyl)-[(1E,3Z)-hexa-1,3,5-trienyl]phosphanium;bis(4-ethynyldibenzofuran);bis(gold(1+))?
The InChIKey is PKODESPRKZYWBC-GNCWKRTPSA-P. The full InChI is InChI=1S/C26H28P2.2C14H7O.2Au/c1-2-3-4-14-21-27(24-15-8-5-9-16-24)22-23-28(25-17-10-6-11-18-25)26-19-12-7-13-20-26;2*1-2-10-6-5-8-12-11-7-3-4-9-13(11)15-14(10)12;;/h2-15,17-21,24H,1,16,22-23H2;2*3-9H;;/q;2*-1;2*+1/p+2/b4-3-,21-14+;;;;.
What are the key properties of cyclohexa-2,4-dien-1-yl-(2-diphenylphosphaniumylethyl)-[(1E,3Z)-hexa-1,3,5-trienyl]phosphanium;bis(4-ethynyldibenzofuran);bis(gold(1+))?
cyclohexa-2,4-dien-1-yl-(2-diphenylphosphaniumylethyl)-[(1E,3Z)-hexa-1,3,5-trienyl]phosphanium;bis(4-ethynyldibenzofuran);bis(gold(1+)) has a molecular weight of 1180.83 g/mol, XLogP of 13.25, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-yl-(2-diphenylphosphaniumylethyl)-[(1E,3Z)-hexa-1,3,5-trienyl]phosphanium;bis(4-ethynyldibenzofuran);bis(gold(1+)) is sourced from PubChem (CID 164790076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).