bis(dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium);bis((2S,5S)-1-[4-[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]butyl]-2,5-dimethylphospholan-1-ium);tetrakis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);tetrakis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);octakis(gold(1+))

C216H280Au8P8Si8+8 — CID 164985629

IUPACbis(dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium);bis((2S,5S)-1-[4-[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]butyl]-2,5-dimethylphospholan-1-ium);tetrakis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);tetrakis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);octakis(gold(1+))
SMILESC1CCC([PH+](CCCC[PH+](C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](CCCC[PH+](C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1.C[C@H]1CC[C@H](C)[PH+]1CCCC[PH+]1[C@@H](C)CC[C@@H]1C.C[C@H]1CC[C@H](C)[PH+]1CCCC[PH+]1[C@@H](C)CC[C@@H]1C.[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.[C-]#Cc1ccc2c(c1)[Si](C)(C)c1ccccc1-2.[C-]#Cc1ccc2c(c1)[Si](C)(C)c1ccccc1-2.[C-]#Cc1ccc2c(c1)[Si](C)(C)c1ccccc1-2.[C-]#Cc1ccc2c(c1)[Si](C)(C)c1ccccc1-2
InChIInChI=1S/2C28H52P2.2C16H32P2.8C16H13Si.8Au/c2*1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*1-13-7-8-14(2)17(13)11-5-6-12-18-15(3)9-10-16(18)4;4*1-4-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16,2)3;4*1-4-12-9-10-14-13-7-5-6-8-15(13)17(2,3)16(14)11-12;;;;;;;;/h2*25-28H,1-24H2;2*13-16H,5-12H2,1-4H3;8*5-11H,2-3H3;;;;;;;;/q;;;;8*-1;8*+1/p+8/t;;2*13-,14-,15-,16-;;;;;;;;;;;;;;;;/m..00................/s1
InChIKeyYKEQNPPHJZFZMB-QTLQQTRKSA-V
MW4924.83 g/mol
LogP49.12
Rot. Bonds28

About bis(dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium);bis((2S,5S)-1-[4-[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]butyl]-2,5-dimethylphospholan-1-ium);tetrakis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);tetrakis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);octakis(gold(1+))

bis(dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium);bis((2S,5S)-1-[4-[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]butyl]-2,5-dimethylphospholan-1-ium);tetrakis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);tetrakis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);octakis(gold(1+)) (PubChem CID 164985629) has the molecular formula C216H280Au8P8Si8+8 and a molecular weight of 4924.83 g/mol. Its IUPAC name is bis(dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium);bis((2S,5S)-1-[4-[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]butyl]-2,5-dimethylphospholan-1-ium);tetrakis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);tetrakis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);octakis(gold(1+)).

Molecular Properties

Compound Namebis(dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium);bis((2S,5S)-1-[4-[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]butyl]-2,5-dimethylphospholan-1-ium);tetrakis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);tetrakis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);octakis(gold(1+))
PubChem CID164985629
Molecular FormulaC216H280Au8P8Si8+8
Molecular Weight4924.83 g/mol
Exact Mass4921.52
IUPAC Namebis(dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium);bis((2S,5S)-1-[4-[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]butyl]-2,5-dimethylphospholan-1-ium);tetrakis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);tetrakis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);octakis(gold(1+))
SMILESC1CCC([PH+](CCCC[PH+](C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](CCCC[PH+](C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1.C[C@H]1CC[C@H](C)[PH+]1CCCC[PH+]1[C@@H](C)CC[C@@H]1C.C[C@H]1CC[C@H](C)[PH+]1CCCC[PH+]1[C@@H](C)CC[C@@H]1C.[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.[C-]#Cc1ccc2c(c1)[Si](C)(C)c1ccccc1-2.[C-]#Cc1ccc2c(c1)[Si](C)(C)c1ccccc1-2.[C-]#Cc1ccc2c(c1)[Si](C)(C)c1ccccc1-2.[C-]#Cc1ccc2c(c1)[Si](C)(C)c1ccccc1-2
InChIInChI=1S/2C28H52P2.2C16H32P2.8C16H13Si.8Au/c2*1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*1-13-7-8-14(2)17(13)11-5-6-12-18-15(3)9-10-16(18)4;4*1-4-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16,2)3;4*1-4-12-9-10-14-13-7-5-6-8-15(13)17(2,3)16(14)11-12;;;;;;;;/h2*25-28H,1-24H2;2*13-16H,5-12H2,1-4H3;8*5-11H,2-3H3;;;;;;;;/q;;;;8*-1;8*+1/p+8/t;;2*13-,14-,15-,16-;;;;;;;;;;;;;;;;/m..00................/s1
InChIKeyYKEQNPPHJZFZMB-QTLQQTRKSA-V
XLogP49.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms240
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004924.83
LogP ≤ 549.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze bis(dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium);bis((2S,5S)-1-[4-[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]butyl]-2,5-dimethylphospholan-1-ium);tetrakis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);tetrakis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);octakis(gold(1+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium);bis((2S,5S)-1-[4-[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]butyl]-2,5-dimethylphospholan-1-ium);tetrakis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);tetrakis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);octakis(gold(1+))?
The IUPAC name of bis(dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium);bis((2S,5S)-1-[4-[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]butyl]-2,5-dimethylphospholan-1-ium);tetrakis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);tetrakis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);octakis(gold(1+)) (CID 164985629) is bis(dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium);bis((2S,5S)-1-[4-[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]butyl]-2,5-dimethylphospholan-1-ium);tetrakis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);tetrakis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);octakis(gold(1+)).
What is the SMILES notation for bis(dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium);bis((2S,5S)-1-[4-[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]butyl]-2,5-dimethylphospholan-1-ium);tetrakis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);tetrakis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);octakis(gold(1+))?
The canonical SMILES for bis(dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium);bis((2S,5S)-1-[4-[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]butyl]-2,5-dimethylphospholan-1-ium);tetrakis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);tetrakis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);octakis(gold(1+)) is C1CCC([PH+](CCCC[PH+](C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1.C1CCC([PH+](CCCC[PH+](C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1.C[C@H]1CC[C@H](C)[PH+]1CCCC[PH+]1[C@@H](C)CC[C@@H]1C.C[C@H]1CC[C@H](C)[PH+]1CCCC[PH+]1[C@@H](C)CC[C@@H]1C.[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.[C-]#Cc1ccc2c(c1)[Si](C)(C)c1ccccc1-2.[C-]#Cc1ccc2c(c1)[Si](C)(C)c1ccccc1-2.[C-]#Cc1ccc2c(c1)[Si](C)(C)c1ccccc1-2.[C-]#Cc1ccc2c(c1)[Si](C)(C)c1ccccc1-2.
What is the InChIKey of bis(dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium);bis((2S,5S)-1-[4-[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]butyl]-2,5-dimethylphospholan-1-ium);tetrakis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);tetrakis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);octakis(gold(1+))?
The InChIKey is YKEQNPPHJZFZMB-QTLQQTRKSA-V. The full InChI is InChI=1S/2C28H52P2.2C16H32P2.8C16H13Si.8Au/c2*1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;2*1-13-7-8-14(2)17(13)11-5-6-12-18-15(3)9-10-16(18)4;4*1-4-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16,2)3;4*1-4-12-9-10-14-13-7-5-6-8-15(13)17(2,3)16(14)11-12;;;;;;;;/h2*25-28H,1-24H2;2*13-16H,5-12H2,1-4H3;8*5-11H,2-3H3;;;;;;;;/q;;;;8*-1;8*+1/p+8/t;;2*13-,14-,15-,16-;;;;;;;;;;;;;;;;/m..00................/s1.
What are the key properties of bis(dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium);bis((2S,5S)-1-[4-[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]butyl]-2,5-dimethylphospholan-1-ium);tetrakis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);tetrakis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);octakis(gold(1+))?
bis(dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium);bis((2S,5S)-1-[4-[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]butyl]-2,5-dimethylphospholan-1-ium);tetrakis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);tetrakis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);octakis(gold(1+)) has a molecular weight of 4924.83 g/mol, XLogP of 49.12, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dicyclohexyl(4-dicyclohexylphosphaniumylbutyl)phosphanium);bis((2S,5S)-1-[4-[(2S,5S)-2,5-dimethylphospholan-1-ium-1-yl]butyl]-2,5-dimethylphospholan-1-ium);tetrakis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);tetrakis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);octakis(gold(1+)) is sourced from PubChem (CID 164985629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).