ethynyl-[ethynyl-bis(1-phenylethyl)silyl]-bis(1-phenylethyl)silane

C36H38Si2 — CID 139763384

IUPACethynyl-[ethynyl-bis(1-phenylethyl)silyl]-bis(1-phenylethyl)silane
SMILESC#C[Si](C(C)c1ccccc1)(C(C)c1ccccc1)[Si](C#C)(C(C)c1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C36H38Si2/c1-7-37(29(3)33-21-13-9-14-22-33,30(4)34-23-15-10-16-24-34)38(8-2,31(5)35-25-17-11-18-26-35)32(6)36-27-19-12-20-28-36/h1-2,9-32H,3-6H3
InChIKeyNQRKHYKXHJHSBR-UHFFFAOYSA-N
MW526.87 g/mol
LogP8.68
Rot. Bonds9

About ethynyl-[ethynyl-bis(1-phenylethyl)silyl]-bis(1-phenylethyl)silane

ethynyl-[ethynyl-bis(1-phenylethyl)silyl]-bis(1-phenylethyl)silane (PubChem CID 139763384) has the molecular formula C36H38Si2 and a molecular weight of 526.87 g/mol. Its IUPAC name is ethynyl-[ethynyl-bis(1-phenylethyl)silyl]-bis(1-phenylethyl)silane.

Molecular Properties

Compound Nameethynyl-[ethynyl-bis(1-phenylethyl)silyl]-bis(1-phenylethyl)silane
PubChem CID139763384
Molecular FormulaC36H38Si2
Molecular Weight526.87 g/mol
Exact Mass526.25
IUPAC Nameethynyl-[ethynyl-bis(1-phenylethyl)silyl]-bis(1-phenylethyl)silane
SMILESC#C[Si](C(C)c1ccccc1)(C(C)c1ccccc1)[Si](C#C)(C(C)c1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C36H38Si2/c1-7-37(29(3)33-21-13-9-14-22-33,30(4)34-23-15-10-16-24-34)38(8-2,31(5)35-25-17-11-18-26-35)32(6)36-27-19-12-20-28-36/h1-2,9-32H,3-6H3
InChIKeyNQRKHYKXHJHSBR-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.87
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
(2S,3R,4R)-4-methyl-2-phenylhex-5-yn-3-ol
CID 56957625
cumene;2-methylpropane
CID 90828344
cumene;zinc
CID 159490121
cumene;hydrogen peroxide
CID 21225480
ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
1-phenylethylbenzene;stibane
CID 174965918
cumene;ethane
CID 54306132

Frequently Asked Questions

What is the IUPAC name of ethynyl-[ethynyl-bis(1-phenylethyl)silyl]-bis(1-phenylethyl)silane?
The IUPAC name of ethynyl-[ethynyl-bis(1-phenylethyl)silyl]-bis(1-phenylethyl)silane (CID 139763384) is ethynyl-[ethynyl-bis(1-phenylethyl)silyl]-bis(1-phenylethyl)silane.
What is the SMILES notation for ethynyl-[ethynyl-bis(1-phenylethyl)silyl]-bis(1-phenylethyl)silane?
The canonical SMILES for ethynyl-[ethynyl-bis(1-phenylethyl)silyl]-bis(1-phenylethyl)silane is C#C[Si](C(C)c1ccccc1)(C(C)c1ccccc1)[Si](C#C)(C(C)c1ccccc1)C(C)c1ccccc1.
What is the InChIKey of ethynyl-[ethynyl-bis(1-phenylethyl)silyl]-bis(1-phenylethyl)silane?
The InChIKey is NQRKHYKXHJHSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38Si2/c1-7-37(29(3)33-21-13-9-14-22-33,30(4)34-23-15-10-16-24-34)38(8-2,31(5)35-25-17-11-18-26-35)32(6)36-27-19-12-20-28-36/h1-2,9-32H,3-6H3.
What are the key properties of ethynyl-[ethynyl-bis(1-phenylethyl)silyl]-bis(1-phenylethyl)silane?
ethynyl-[ethynyl-bis(1-phenylethyl)silyl]-bis(1-phenylethyl)silane has a molecular weight of 526.87 g/mol, XLogP of 8.68, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethynyl-[ethynyl-bis(1-phenylethyl)silyl]-bis(1-phenylethyl)silane is sourced from PubChem (CID 139763384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).