chloro-bis(4-tributylsilylphenyl)phosphane

C36H62ClPSi2 — CID 155668506

IUPACchloro-bis(4-tributylsilylphenyl)phosphane
SMILESCCCC[Si](CCCC)(CCCC)c1ccc(P(Cl)c2ccc([Si](CCCC)(CCCC)CCCC)cc2)cc1
InChIInChI=1S/C36H62ClPSi2/c1-7-13-27-39(28-14-8-2,29-15-9-3)35-23-19-33(20-24-35)38(37)34-21-25-36(26-22-34)40(30-16-10-4,31-17-11-5)32-18-12-6/h19-26H,7-18,27-32H2,1-6H3
InChIKeyWXBGHVOHULLWAL-UHFFFAOYSA-N
MW617.49 g/mol
LogP11.39
Rot. Bonds22

About chloro-bis(4-tributylsilylphenyl)phosphane

chloro-bis(4-tributylsilylphenyl)phosphane (PubChem CID 155668506) has the molecular formula C36H62ClPSi2 and a molecular weight of 617.49 g/mol. Its IUPAC name is chloro-bis(4-tributylsilylphenyl)phosphane.

Molecular Properties

Compound Namechloro-bis(4-tributylsilylphenyl)phosphane
PubChem CID155668506
Molecular FormulaC36H62ClPSi2
Molecular Weight617.49 g/mol
Exact Mass616.38
IUPAC Namechloro-bis(4-tributylsilylphenyl)phosphane
SMILESCCCC[Si](CCCC)(CCCC)c1ccc(P(Cl)c2ccc([Si](CCCC)(CCCC)CCCC)cc2)cc1
InChIInChI=1S/C36H62ClPSi2/c1-7-13-27-39(28-14-8-2,29-15-9-3)35-23-19-33(20-24-35)38(37)34-21-25-36(26-22-34)40(30-16-10-4,31-17-11-5)32-18-12-6/h19-26H,7-18,27-32H2,1-6H3
InChIKeyWXBGHVOHULLWAL-UHFFFAOYSA-N
XLogP11.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.49
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Chloro(methyl)diphenylsilane
CID 67349
1,3-Diphenyltetramethyldisiloxane
CID 5945
Diphenyldiallylsilane
CID 82695
tert-Butyldiphenylchlorosilane
CID 94078
Bisphenylhexamethicone
CID 10144957
N-(dimethylphenylsilyl)-1,1-dimethyl-1-phenylsilylamine
CID 76988
1,1,1-Trimethyl-2,2,2-triphenyldisilane
CID 74058
Trisiloxane, 1,5-diethenyl-1,1,5,5-tetramethyl-3,3-diphenyl-
CID 87707
Benzene, 1,1'-(diethylsilylene)bis-
CID 87379
Diethenyl(diphenyl)silane
CID 260855
Phenyltributylsilane
CID 4206594
1,2-Diphenyltetramethyldisilane
CID 136916

Frequently Asked Questions

What is the IUPAC name of chloro-bis(4-tributylsilylphenyl)phosphane?
The IUPAC name of chloro-bis(4-tributylsilylphenyl)phosphane (CID 155668506) is chloro-bis(4-tributylsilylphenyl)phosphane.
What is the SMILES notation for chloro-bis(4-tributylsilylphenyl)phosphane?
The canonical SMILES for chloro-bis(4-tributylsilylphenyl)phosphane is CCCC[Si](CCCC)(CCCC)c1ccc(P(Cl)c2ccc([Si](CCCC)(CCCC)CCCC)cc2)cc1.
What is the InChIKey of chloro-bis(4-tributylsilylphenyl)phosphane?
The InChIKey is WXBGHVOHULLWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H62ClPSi2/c1-7-13-27-39(28-14-8-2,29-15-9-3)35-23-19-33(20-24-35)38(37)34-21-25-36(26-22-34)40(30-16-10-4,31-17-11-5)32-18-12-6/h19-26H,7-18,27-32H2,1-6H3.
What are the key properties of chloro-bis(4-tributylsilylphenyl)phosphane?
chloro-bis(4-tributylsilylphenyl)phosphane has a molecular weight of 617.49 g/mol, XLogP of 11.39, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-bis(4-tributylsilylphenyl)phosphane is sourced from PubChem (CID 155668506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).