cyclohexa-2,4-dien-1-yl-(diphenylphosphaniumylmethyl)-phenylphosphanium;bis(1-ethynyl-9-phenylcarbazole);bis(gold(1+))

C65H50Au2N2P2+2 — CID 164790488

IUPACcyclohexa-2,4-dien-1-yl-(diphenylphosphaniumylmethyl)-phenylphosphanium;bis(1-ethynyl-9-phenylcarbazole);bis(gold(1+))
SMILESC1=CCC([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)C=C1.[Au+].[Au+].[C-]#Cc1cccc2c3ccccc3n(-c3ccccc3)c12.[C-]#Cc1cccc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C25H24P2.2C20H12N.2Au/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;2*1-2-15-9-8-13-18-17-12-6-7-14-19(17)21(20(15)18)16-10-4-3-5-11-16;;/h1-19,25H,20-21H2;2*3-14H;;/q;2*-1;2*+1/p+2
InChIKeyLCRHLLIGGXKCOA-UHFFFAOYSA-P
MW1315.01 g/mol
LogP14.67
Rot. Bonds8

About cyclohexa-2,4-dien-1-yl-(diphenylphosphaniumylmethyl)-phenylphosphanium;bis(1-ethynyl-9-phenylcarbazole);bis(gold(1+))

cyclohexa-2,4-dien-1-yl-(diphenylphosphaniumylmethyl)-phenylphosphanium;bis(1-ethynyl-9-phenylcarbazole);bis(gold(1+)) (PubChem CID 164790488) has the molecular formula C65H50Au2N2P2+2 and a molecular weight of 1315.01 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-yl-(diphenylphosphaniumylmethyl)-phenylphosphanium;bis(1-ethynyl-9-phenylcarbazole);bis(gold(1+)).

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-yl-(diphenylphosphaniumylmethyl)-phenylphosphanium;bis(1-ethynyl-9-phenylcarbazole);bis(gold(1+))
PubChem CID164790488
Molecular FormulaC65H50Au2N2P2+2
Molecular Weight1315.01 g/mol
Exact Mass1314.28
IUPAC Namecyclohexa-2,4-dien-1-yl-(diphenylphosphaniumylmethyl)-phenylphosphanium;bis(1-ethynyl-9-phenylcarbazole);bis(gold(1+))
SMILESC1=CCC([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)C=C1.[Au+].[Au+].[C-]#Cc1cccc2c3ccccc3n(-c3ccccc3)c12.[C-]#Cc1cccc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C25H24P2.2C20H12N.2Au/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;2*1-2-15-9-8-13-18-17-12-6-7-14-19(17)21(20(15)18)16-10-4-3-5-11-16;;/h1-19,25H,20-21H2;2*3-14H;;/q;2*-1;2*+1/p+2
InChIKeyLCRHLLIGGXKCOA-UHFFFAOYSA-P
XLogP14.67
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001315.01
LogP ≤ 514.67
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': 'triple_bond', 'substructure': 'N/A'}

Analyze cyclohexa-2,4-dien-1-yl-(diphenylphosphaniumylmethyl)-phenylphosphanium;bis(1-ethynyl-9-phenylcarbazole);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

3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287
9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile
CID 134597735
12-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-11-phenylindolo[2,3-a]carbazole
CID 145327150
11-(3-carbazol-9-ylphenyl)-12-(4-cyclohexa-2,4-dien-1-yl-6-phenylpyrimidin-2-yl)indolo[2,3-a]carbazole
CID 134240128
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093
9-cyclohexa-2,4-dien-1-yl-21,21-dimethyl-18-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 144725967
5-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 163810856
2-(5,7-diphenylindolo[2,3-b]carbazol-6-yl)-3-isocyanobenzonitrile
CID 140877447
3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118686609
[4-(12-cyclohexa-2,4-dien-1-ylindolo[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-4-yl)silane
CID 177276867
3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile
CID 134597706
(11-phenylindolo[2,3-a]carbazol-12-yl)methanediamine
CID 121355648

Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-yl-(diphenylphosphaniumylmethyl)-phenylphosphanium;bis(1-ethynyl-9-phenylcarbazole);bis(gold(1+))?
The IUPAC name of cyclohexa-2,4-dien-1-yl-(diphenylphosphaniumylmethyl)-phenylphosphanium;bis(1-ethynyl-9-phenylcarbazole);bis(gold(1+)) (CID 164790488) is cyclohexa-2,4-dien-1-yl-(diphenylphosphaniumylmethyl)-phenylphosphanium;bis(1-ethynyl-9-phenylcarbazole);bis(gold(1+)).
What is the SMILES notation for cyclohexa-2,4-dien-1-yl-(diphenylphosphaniumylmethyl)-phenylphosphanium;bis(1-ethynyl-9-phenylcarbazole);bis(gold(1+))?
The canonical SMILES for cyclohexa-2,4-dien-1-yl-(diphenylphosphaniumylmethyl)-phenylphosphanium;bis(1-ethynyl-9-phenylcarbazole);bis(gold(1+)) is C1=CCC([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)C=C1.[Au+].[Au+].[C-]#Cc1cccc2c3ccccc3n(-c3ccccc3)c12.[C-]#Cc1cccc2c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of cyclohexa-2,4-dien-1-yl-(diphenylphosphaniumylmethyl)-phenylphosphanium;bis(1-ethynyl-9-phenylcarbazole);bis(gold(1+))?
The InChIKey is LCRHLLIGGXKCOA-UHFFFAOYSA-P. The full InChI is InChI=1S/C25H24P2.2C20H12N.2Au/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;2*1-2-15-9-8-13-18-17-12-6-7-14-19(17)21(20(15)18)16-10-4-3-5-11-16;;/h1-19,25H,20-21H2;2*3-14H;;/q;2*-1;2*+1/p+2.
What are the key properties of cyclohexa-2,4-dien-1-yl-(diphenylphosphaniumylmethyl)-phenylphosphanium;bis(1-ethynyl-9-phenylcarbazole);bis(gold(1+))?
cyclohexa-2,4-dien-1-yl-(diphenylphosphaniumylmethyl)-phenylphosphanium;bis(1-ethynyl-9-phenylcarbazole);bis(gold(1+)) has a molecular weight of 1315.01 g/mol, XLogP of 14.67, 8 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-(diphenylphosphaniumylmethyl)-phenylphosphanium;bis(1-ethynyl-9-phenylcarbazole);bis(gold(1+)) is sourced from PubChem (CID 164790488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).