CID 164790450

C71H55Au2P2Si2+2 — CID 164790450

IUPAC—
SMILESC=C/C=C\C=C\[PH+](C[PH+](c1ccccc1)c1ccccc1)c1ccccc1.[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2c1ccccc1.[C-]#Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C26H17Si.C25H24P2.C20H12Si.2Au/c1-2-20-17-18-24-23-15-9-10-16-25(23)27(26(24)19-20,21-11-5-3-6-12-21)22-13-7-4-8-14-22;1-2-3-4-14-21-26(23-15-8-5-9-16-23)22-27(24-17-10-6-11-18-24)25-19-12-7-13-20-25;1-2-15-12-13-20-18(14-15)17-10-6-7-11-19(17)21(20)16-8-4-3-5-9-16;;/h3-19H;2-21H,1,22H2;3-14H;;/q-1;;-1;2*+1/p+2/b;4-3-,21-14+;;;
InChIKeyBGZWTWRNPBUIPQ-CXFCXGKFSA-P
MW1420.27 g/mol
LogP10.70
Rot. Bonds11

About CID 164790450

CID 164790450 (PubChem CID 164790450) has the molecular formula C71H55Au2P2Si2+2 and a molecular weight of 1420.27 g/mol.

Molecular Properties

Compound NameCID 164790450
PubChem CID164790450
Molecular FormulaC71H55Au2P2Si2+2
Molecular Weight1420.27 g/mol
Exact Mass1419.26
IUPAC Name—
SMILESC=C/C=C\C=C\[PH+](C[PH+](c1ccccc1)c1ccccc1)c1ccccc1.[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2c1ccccc1.[C-]#Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C26H17Si.C25H24P2.C20H12Si.2Au/c1-2-20-17-18-24-23-15-9-10-16-25(23)27(26(24)19-20,21-11-5-3-6-12-21)22-13-7-4-8-14-22;1-2-3-4-14-21-26(23-15-8-5-9-16-23)22-27(24-17-10-6-11-18-24)25-19-12-7-13-20-25;1-2-15-12-13-20-18(14-15)17-10-6-7-11-19(17)21(20)16-8-4-3-5-9-16;;/h3-19H;2-21H,1,22H2;3-14H;;/q-1;;-1;2*+1/p+2/b;4-3-,21-14+;;;
InChIKeyBGZWTWRNPBUIPQ-CXFCXGKFSA-P
XLogP10.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001420.27
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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

bis(3,7-bis(ethynyl)-5,5-diphenylbenzo[b][1]benzosilole);bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164789980
silver;diphenylphosphaniumylmethyl-[(1E,3Z)-hexa-1,3,5-trienyl]-phenylphosphanium;2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;gold(1+)
CID 164789578
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-5,5-diphenylbenzo[b][1]benzosilole);bis(gold(1+))
CID 164790242
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;bis(gold(1+))
CID 164789498
diphenylphosphaniumylmethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(gold(1+))
CID 164789967
bis(3,8-bis(ethynyl)-5,5-dimethylbenzo[b][1]benzosilole);bis(4-diphenylphosphaniumylbutyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164790294
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyl-9,9-diphenylfluorene)
CID 164789687
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;2-ethynyl-9,9-diphenylfluorene;3-ethynyl-9,9-diphenylfluorene
CID 164790310
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;bis(gold(1+))
CID 164790381
disilver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(3-ethynyl-9,9-dimethylfluorene)
CID 164790094
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynylnaphthalene);bis(gold(1+))
CID 162499562
diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(2-ethynyltriphenylene);bis(gold(1+))
CID 162499734

Frequently Asked Questions

What is the IUPAC name of CID 164790450?
The IUPAC name of CID 164790450 (CID 164790450) is not available.
What is the SMILES notation for CID 164790450?
The canonical SMILES for CID 164790450 is C=C/C=C\C=C\[PH+](C[PH+](c1ccccc1)c1ccccc1)c1ccccc1.[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2c1ccccc1.[C-]#Cc1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.
What is the InChIKey of CID 164790450?
The InChIKey is BGZWTWRNPBUIPQ-CXFCXGKFSA-P. The full InChI is InChI=1S/C26H17Si.C25H24P2.C20H12Si.2Au/c1-2-20-17-18-24-23-15-9-10-16-25(23)27(26(24)19-20,21-11-5-3-6-12-21)22-13-7-4-8-14-22;1-2-3-4-14-21-26(23-15-8-5-9-16-23)22-27(24-17-10-6-11-18-24)25-19-12-7-13-20-25;1-2-15-12-13-20-18(14-15)17-10-6-7-11-19(17)21(20)16-8-4-3-5-9-16;;/h3-19H;2-21H,1,22H2;3-14H;;/q-1;;-1;2*+1/p+2/b;4-3-,21-14+;;;.
What are the key properties of CID 164790450?
CID 164790450 has a molecular weight of 1420.27 g/mol, XLogP of 10.70, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164790450 is sourced from PubChem (CID 164790450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).