1,1-dimethyl-2-[(Z)-3-methylidenepent-1-en-4-ynyl]-1-benzosilole;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;N,N,N',N'-tetraphenylbutane-1,4-diamine

C60H56Au2N2Si2-2 — CID 164790098

IUPAC1,1-dimethyl-2-[(Z)-3-methylidenepent-1-en-4-ynyl]-1-benzosilole;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;N,N,N',N'-tetraphenylbutane-1,4-diamine
SMILES[Au].[Au].[C-]#CC(=C)/C=C\C1=Cc2ccccc2[Si]1(C)C.[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.c1ccc(N(CCCCN(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28N2.C16H13Si.C16H15Si.2Au/c1-5-15-25(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;1-4-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16,2)3;1-5-13(2)10-11-15-12-14-8-6-7-9-16(14)17(15,3)4;;/h1-12,15-22H,13-14,23-24H2;5-11H,2-3H3;6-12H,2H2,3-4H3;;/q;2*-1;;/b;;11-10-;;
InChIKeyWULLLGIOINXCIR-JNXJEJKCSA-N
MW1255.23 g/mol
LogP13.11
Rot. Bonds11

About 1,1-dimethyl-2-[(Z)-3-methylidenepent-1-en-4-ynyl]-1-benzosilole;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;N,N,N',N'-tetraphenylbutane-1,4-diamine

1,1-dimethyl-2-[(Z)-3-methylidenepent-1-en-4-ynyl]-1-benzosilole;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;N,N,N',N'-tetraphenylbutane-1,4-diamine (PubChem CID 164790098) has the molecular formula C60H56Au2N2Si2-2 and a molecular weight of 1255.23 g/mol. Its IUPAC name is 1,1-dimethyl-2-[(Z)-3-methylidenepent-1-en-4-ynyl]-1-benzosilole;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;N,N,N',N'-tetraphenylbutane-1,4-diamine.

Molecular Properties

Compound Name1,1-dimethyl-2-[(Z)-3-methylidenepent-1-en-4-ynyl]-1-benzosilole;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;N,N,N',N'-tetraphenylbutane-1,4-diamine
PubChem CID164790098
Molecular FormulaC60H56Au2N2Si2-2
Molecular Weight1255.23 g/mol
Exact Mass1254.33
IUPAC Name1,1-dimethyl-2-[(Z)-3-methylidenepent-1-en-4-ynyl]-1-benzosilole;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;N,N,N',N'-tetraphenylbutane-1,4-diamine
SMILES[Au].[Au].[C-]#CC(=C)/C=C\C1=Cc2ccccc2[Si]1(C)C.[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.c1ccc(N(CCCCN(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28N2.C16H13Si.C16H15Si.2Au/c1-5-15-25(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;1-4-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16,2)3;1-5-13(2)10-11-15-12-14-8-6-7-9-16(14)17(15,3)4;;/h1-12,15-22H,13-14,23-24H2;5-11H,2-3H3;6-12H,2H2,3-4H3;;/q;2*-1;;/b;;11-10-;;
InChIKeyWULLLGIOINXCIR-JNXJEJKCSA-N
XLogP13.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001255.23
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1-dimethyl-2-[(Z)-3-methylidenepent-1-en-4-ynyl]-1-benzosilole;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;N,N,N',N'-tetraphenylbutane-1,4-diamine with MolForge

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Related Compounds

bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);gold;N,N,N',N'-tetraphenylbutane-1,4-diamine
CID 164789513
bis(3-ethynyl-9H-fluorene);gold;N,N,N',N'-tetraphenylbutane-1,4-diamine
CID 164789691
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
N-(5-methylidenehept-6-enyl)-N-phenylaniline
CID 121412697
2-diphenylphosphaniumylpropan-2-yl(diphenyl)phosphanium;bis(3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))
CID 164789551
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
cyclohexa-2,4-dien-1-yl-(3-diphenylphosphaniumylnaphthalen-2-yl)-phenylphosphanium;bis(2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole);bis(gold(1+))
CID 164790506
3-(N-hexadecylanilino)phenol
CID 21083116
2-iodo-5,5-dimethylbenzo[b][1]benzosilole
CID 140829027
(6-diphenylphosphaniumyl-1-methylbenzimidazol-5-yl)-diphenylphosphanium;3-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;gold(1+)
CID 164790032
5,5-dimethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]benzo[b][1]benzosilol-3-amine
CID 168810421
butane;N-octyl-N-phenylaniline
CID 175431375

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-[(Z)-3-methylidenepent-1-en-4-ynyl]-1-benzosilole;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;N,N,N',N'-tetraphenylbutane-1,4-diamine?
The IUPAC name of 1,1-dimethyl-2-[(Z)-3-methylidenepent-1-en-4-ynyl]-1-benzosilole;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;N,N,N',N'-tetraphenylbutane-1,4-diamine (CID 164790098) is 1,1-dimethyl-2-[(Z)-3-methylidenepent-1-en-4-ynyl]-1-benzosilole;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;N,N,N',N'-tetraphenylbutane-1,4-diamine.
What is the SMILES notation for 1,1-dimethyl-2-[(Z)-3-methylidenepent-1-en-4-ynyl]-1-benzosilole;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;N,N,N',N'-tetraphenylbutane-1,4-diamine?
The canonical SMILES for 1,1-dimethyl-2-[(Z)-3-methylidenepent-1-en-4-ynyl]-1-benzosilole;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;N,N,N',N'-tetraphenylbutane-1,4-diamine is [Au].[Au].[C-]#CC(=C)/C=C\C1=Cc2ccccc2[Si]1(C)C.[C-]#Cc1ccc2c(c1)-c1ccccc1[Si]2(C)C.c1ccc(N(CCCCN(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,1-dimethyl-2-[(Z)-3-methylidenepent-1-en-4-ynyl]-1-benzosilole;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;N,N,N',N'-tetraphenylbutane-1,4-diamine?
The InChIKey is WULLLGIOINXCIR-JNXJEJKCSA-N. The full InChI is InChI=1S/C28H28N2.C16H13Si.C16H15Si.2Au/c1-5-15-25(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;1-4-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16,2)3;1-5-13(2)10-11-15-12-14-8-6-7-9-16(14)17(15,3)4;;/h1-12,15-22H,13-14,23-24H2;5-11H,2-3H3;6-12H,2H2,3-4H3;;/q;2*-1;;/b;;11-10-;;.
What are the key properties of 1,1-dimethyl-2-[(Z)-3-methylidenepent-1-en-4-ynyl]-1-benzosilole;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;N,N,N',N'-tetraphenylbutane-1,4-diamine?
1,1-dimethyl-2-[(Z)-3-methylidenepent-1-en-4-ynyl]-1-benzosilole;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;N,N,N',N'-tetraphenylbutane-1,4-diamine has a molecular weight of 1255.23 g/mol, XLogP of 13.11, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-[(Z)-3-methylidenepent-1-en-4-ynyl]-1-benzosilole;2-ethynyl-5,5-dimethylbenzo[b][1]benzosilole;gold;N,N,N',N'-tetraphenylbutane-1,4-diamine is sourced from PubChem (CID 164790098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).