dibenzyl-chloro-[2-[dibenzyl(chloro)silyl]ethynyl]silane

C30H28Cl2Si2 — CID 139634018

IUPACdibenzyl-chloro-[2-[dibenzyl(chloro)silyl]ethynyl]silane
SMILESCl[Si](C#C[Si](Cl)(Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H28Cl2Si2/c31-33(23-27-13-5-1-6-14-27,24-28-15-7-2-8-16-28)21-22-34(32,25-29-17-9-3-10-18-29)26-30-19-11-4-12-20-30/h1-20H,23-26H2
InChIKeyCFJNXJKNNUYRKT-UHFFFAOYSA-N
MW515.63 g/mol
LogP7.56
Rot. Bonds8

About dibenzyl-chloro-[2-[dibenzyl(chloro)silyl]ethynyl]silane

dibenzyl-chloro-[2-[dibenzyl(chloro)silyl]ethynyl]silane (PubChem CID 139634018) has the molecular formula C30H28Cl2Si2 and a molecular weight of 515.63 g/mol. Its IUPAC name is dibenzyl-chloro-[2-[dibenzyl(chloro)silyl]ethynyl]silane.

Molecular Properties

Compound Namedibenzyl-chloro-[2-[dibenzyl(chloro)silyl]ethynyl]silane
PubChem CID139634018
Molecular FormulaC30H28Cl2Si2
Molecular Weight515.63 g/mol
Exact Mass514.11
IUPAC Namedibenzyl-chloro-[2-[dibenzyl(chloro)silyl]ethynyl]silane
SMILESCl[Si](C#C[Si](Cl)(Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H28Cl2Si2/c31-33(23-27-13-5-1-6-14-27,24-28-15-7-2-8-16-28)21-22-34(32,25-29-17-9-3-10-18-29)26-30-19-11-4-12-20-30/h1-20H,23-26H2
InChIKeyCFJNXJKNNUYRKT-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.63
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tribenzyl(tribenzylsilyl)silane
CID 4650468
benzene;2-phenylethylbenzene
CID 18982764
benzyl-chloro-ethenyl-methylsilane
CID 12617019
(2-chloro-2,2-dideuterioethyl)benzene
CID 101334743
hafnium;2-phenylethylbenzene
CID 173109801
benzyl-dihydroxy-methylsilane
CID 69074928
benzyl-fluoro-dimethylsilane
CID 11105764
trichloro(5-phenylpentyl)silane
CID 59465093
3-[benzyl(dimethyl)silyl]prop-2-ynal
CID 44556926
[[bis(trimethylsilyl)amino]oxy-difluorosilyl]methylbenzene
CID 15835981
dibenzyl-methyl-phenylsilane
CID 71342171
magnesium;benzyl-methanidyl-dimethylsilane;chloride
CID 15733668

Frequently Asked Questions

What is the IUPAC name of dibenzyl-chloro-[2-[dibenzyl(chloro)silyl]ethynyl]silane?
The IUPAC name of dibenzyl-chloro-[2-[dibenzyl(chloro)silyl]ethynyl]silane (CID 139634018) is dibenzyl-chloro-[2-[dibenzyl(chloro)silyl]ethynyl]silane.
What is the SMILES notation for dibenzyl-chloro-[2-[dibenzyl(chloro)silyl]ethynyl]silane?
The canonical SMILES for dibenzyl-chloro-[2-[dibenzyl(chloro)silyl]ethynyl]silane is Cl[Si](C#C[Si](Cl)(Cc1ccccc1)Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzyl-chloro-[2-[dibenzyl(chloro)silyl]ethynyl]silane?
The InChIKey is CFJNXJKNNUYRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28Cl2Si2/c31-33(23-27-13-5-1-6-14-27,24-28-15-7-2-8-16-28)21-22-34(32,25-29-17-9-3-10-18-29)26-30-19-11-4-12-20-30/h1-20H,23-26H2.
What are the key properties of dibenzyl-chloro-[2-[dibenzyl(chloro)silyl]ethynyl]silane?
dibenzyl-chloro-[2-[dibenzyl(chloro)silyl]ethynyl]silane has a molecular weight of 515.63 g/mol, XLogP of 7.56, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-chloro-[2-[dibenzyl(chloro)silyl]ethynyl]silane is sourced from PubChem (CID 139634018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).