bis((2-diphenylphosphaniumyl-9-phenylcarbazol-3-yl)-diphenylphosphanium);2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(4-ethynyl-9H-fluorene);tetrakis(gold(1+))

C144H102Au4N2P4+4 — CID 164984764

IUPACbis((2-diphenylphosphaniumyl-9-phenylcarbazol-3-yl)-diphenylphosphanium);2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(4-ethynyl-9H-fluorene);tetrakis(gold(1+))
SMILES[Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1C2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1cccc2c1-c1ccccc1C2.[C-]#Cc1cccc2c1-c1ccccc1C2.c1ccc(-n2c3ccccc3c3cc([PH+](c4ccccc4)c4ccccc4)c([PH+](c4ccccc4)c4ccccc4)cc32)cc1.c1ccc(-n2c3ccccc3c3cc([PH+](c4ccccc4)c4ccccc4)c([PH+](c4ccccc4)c4ccccc4)cc32)cc1
InChIInChI=1S/2C42H31NP2.4C15H9.4Au/c2*1-6-18-32(19-7-1)43-39-29-17-16-28-37(39)38-30-41(44(33-20-8-2-9-21-33)34-22-10-3-11-23-34)42(31-40(38)43)45(35-24-12-4-13-25-35)36-26-14-5-15-27-36;2*1-2-11-7-5-8-13-10-12-6-3-4-9-14(12)15(11)13;1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;1-2-11-7-8-13-10-12-5-3-4-6-14(12)15(13)9-11;;;;/h2*1-31H;4*3-9H,10H2;;;;/q;;4*-1;4*+1/p+4
InChIKeyGXCBEEMFMSVESQ-UHFFFAOYSA-R
MW2772.18 g/mol
LogP28.30
Rot. Bonds14

About bis((2-diphenylphosphaniumyl-9-phenylcarbazol-3-yl)-diphenylphosphanium);2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(4-ethynyl-9H-fluorene);tetrakis(gold(1+))

bis((2-diphenylphosphaniumyl-9-phenylcarbazol-3-yl)-diphenylphosphanium);2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(4-ethynyl-9H-fluorene);tetrakis(gold(1+)) (PubChem CID 164984764) has the molecular formula C144H102Au4N2P4+4 and a molecular weight of 2772.18 g/mol. Its IUPAC name is bis((2-diphenylphosphaniumyl-9-phenylcarbazol-3-yl)-diphenylphosphanium);2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(4-ethynyl-9H-fluorene);tetrakis(gold(1+)).

Molecular Properties

Compound Namebis((2-diphenylphosphaniumyl-9-phenylcarbazol-3-yl)-diphenylphosphanium);2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(4-ethynyl-9H-fluorene);tetrakis(gold(1+))
PubChem CID164984764
Molecular FormulaC144H102Au4N2P4+4
Molecular Weight2772.18 g/mol
Exact Mass2770.56
IUPAC Namebis((2-diphenylphosphaniumyl-9-phenylcarbazol-3-yl)-diphenylphosphanium);2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(4-ethynyl-9H-fluorene);tetrakis(gold(1+))
SMILES[Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1C2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1cccc2c1-c1ccccc1C2.[C-]#Cc1cccc2c1-c1ccccc1C2.c1ccc(-n2c3ccccc3c3cc([PH+](c4ccccc4)c4ccccc4)c([PH+](c4ccccc4)c4ccccc4)cc32)cc1.c1ccc(-n2c3ccccc3c3cc([PH+](c4ccccc4)c4ccccc4)c([PH+](c4ccccc4)c4ccccc4)cc32)cc1
InChIInChI=1S/2C42H31NP2.4C15H9.4Au/c2*1-6-18-32(19-7-1)43-39-29-17-16-28-37(39)38-30-41(44(33-20-8-2-9-21-33)34-22-10-3-11-23-34)42(31-40(38)43)45(35-24-12-4-13-25-35)36-26-14-5-15-27-36;2*1-2-11-7-5-8-13-10-12-6-3-4-9-14(12)15(11)13;1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;1-2-11-7-8-13-10-12-5-3-4-6-14(12)15(13)9-11;;;;/h2*1-31H;4*3-9H,10H2;;;;/q;;4*-1;4*+1/p+4
InChIKeyGXCBEEMFMSVESQ-UHFFFAOYSA-R
XLogP28.30
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002772.18
LogP ≤ 528.30
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'}

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Related Compounds

(2-diphenylphosphaniumyldibenzofuran-3-yl)-diphenylphosphanium;bis(2-ethynyl-9H-fluorene);bis(gold(1+))
CID 164790051
bis(2,6-bis(ethynyl)-9-phenylcarbazole);bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164790070
3,6-bis(ethynyl)-9H-fluorene;3,6-bis(ethynyl)-9-methylcarbazole;bis((2-diphenylphosphaniumylphenyl)-diphenylphosphanium);tetrakis(gold(1+))
CID 164790417
bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);1-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;2-ethynyl-9H-fluorene;4-ethynyl-9H-fluorene;tetrakis(gold(1+))
CID 165007613
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;2-ethynyl-9H-fluorene;3-ethynyl-9-methylcarbazole;bis(gold(1+))
CID 164789760
5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene
CID 118655949
2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(2-ethynyl-9-phenylcarbazole);bis(gold(1+))
CID 164790139
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
silver;diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(4-ethynyl-9H-fluorene);gold(1+)
CID 164790062
9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122434437
3-(9H-fluoren-4-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130230877
dimethylphosphaniumylmethyl(dimethyl)phosphanium;diphenylphosphaniumylmethyl-methyl-phenylphosphanium;2-ethynyl-9H-fluorene;tris(3-ethynyl-9H-fluorene);tetrakis(gold(1+))
CID 165052589

Frequently Asked Questions

What is the IUPAC name of bis((2-diphenylphosphaniumyl-9-phenylcarbazol-3-yl)-diphenylphosphanium);2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(4-ethynyl-9H-fluorene);tetrakis(gold(1+))?
The IUPAC name of bis((2-diphenylphosphaniumyl-9-phenylcarbazol-3-yl)-diphenylphosphanium);2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(4-ethynyl-9H-fluorene);tetrakis(gold(1+)) (CID 164984764) is bis((2-diphenylphosphaniumyl-9-phenylcarbazol-3-yl)-diphenylphosphanium);2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(4-ethynyl-9H-fluorene);tetrakis(gold(1+)).
What is the SMILES notation for bis((2-diphenylphosphaniumyl-9-phenylcarbazol-3-yl)-diphenylphosphanium);2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(4-ethynyl-9H-fluorene);tetrakis(gold(1+))?
The canonical SMILES for bis((2-diphenylphosphaniumyl-9-phenylcarbazol-3-yl)-diphenylphosphanium);2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(4-ethynyl-9H-fluorene);tetrakis(gold(1+)) is [Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1C2.[C-]#Cc1ccc2c(c1)Cc1ccccc1-2.[C-]#Cc1cccc2c1-c1ccccc1C2.[C-]#Cc1cccc2c1-c1ccccc1C2.c1ccc(-n2c3ccccc3c3cc([PH+](c4ccccc4)c4ccccc4)c([PH+](c4ccccc4)c4ccccc4)cc32)cc1.c1ccc(-n2c3ccccc3c3cc([PH+](c4ccccc4)c4ccccc4)c([PH+](c4ccccc4)c4ccccc4)cc32)cc1.
What is the InChIKey of bis((2-diphenylphosphaniumyl-9-phenylcarbazol-3-yl)-diphenylphosphanium);2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(4-ethynyl-9H-fluorene);tetrakis(gold(1+))?
The InChIKey is GXCBEEMFMSVESQ-UHFFFAOYSA-R. The full InChI is InChI=1S/2C42H31NP2.4C15H9.4Au/c2*1-6-18-32(19-7-1)43-39-29-17-16-28-37(39)38-30-41(44(33-20-8-2-9-21-33)34-22-10-3-11-23-34)42(31-40(38)43)45(35-24-12-4-13-25-35)36-26-14-5-15-27-36;2*1-2-11-7-5-8-13-10-12-6-3-4-9-14(12)15(11)13;1-2-11-7-8-15-13(9-11)10-12-5-3-4-6-14(12)15;1-2-11-7-8-13-10-12-5-3-4-6-14(12)15(13)9-11;;;;/h2*1-31H;4*3-9H,10H2;;;;/q;;4*-1;4*+1/p+4.
What are the key properties of bis((2-diphenylphosphaniumyl-9-phenylcarbazol-3-yl)-diphenylphosphanium);2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(4-ethynyl-9H-fluorene);tetrakis(gold(1+))?
bis((2-diphenylphosphaniumyl-9-phenylcarbazol-3-yl)-diphenylphosphanium);2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(4-ethynyl-9H-fluorene);tetrakis(gold(1+)) has a molecular weight of 2772.18 g/mol, XLogP of 28.30, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2-diphenylphosphaniumyl-9-phenylcarbazol-3-yl)-diphenylphosphanium);2-ethynyl-9H-fluorene;3-ethynyl-9H-fluorene;bis(4-ethynyl-9H-fluorene);tetrakis(gold(1+)) is sourced from PubChem (CID 164984764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).