chloro-tris(2,5-dimethyl-3-phenylphenyl)silane

C42H39ClSi — CID 88962543

IUPACchloro-tris(2,5-dimethyl-3-phenylphenyl)silane
SMILESCc1cc(-c2ccccc2)c(C)c([Si](Cl)(c2cc(C)cc(-c3ccccc3)c2C)c2cc(C)cc(-c3ccccc3)c2C)c1
InChIInChI=1S/C42H39ClSi/c1-28-22-37(34-16-10-7-11-17-34)31(4)40(25-28)44(43,41-26-29(2)23-38(32(41)5)35-18-12-8-13-19-35)42-27-30(3)24-39(33(42)6)36-20-14-9-15-21-36/h7-27H,1-6H3
InChIKeyHZIOTQAGTMKYIA-UHFFFAOYSA-N
MW607.31 g/mol
LogP9.74
Rot. Bonds6

About chloro-tris(2,5-dimethyl-3-phenylphenyl)silane

chloro-tris(2,5-dimethyl-3-phenylphenyl)silane (PubChem CID 88962543) has the molecular formula C42H39ClSi and a molecular weight of 607.31 g/mol. Its IUPAC name is chloro-tris(2,5-dimethyl-3-phenylphenyl)silane.

Molecular Properties

Compound Namechloro-tris(2,5-dimethyl-3-phenylphenyl)silane
PubChem CID88962543
Molecular FormulaC42H39ClSi
Molecular Weight607.31 g/mol
Exact Mass606.25
IUPAC Namechloro-tris(2,5-dimethyl-3-phenylphenyl)silane
SMILESCc1cc(-c2ccccc2)c(C)c([Si](Cl)(c2cc(C)cc(-c3ccccc3)c2C)c2cc(C)cc(-c3ccccc3)c2C)c1
InChIInChI=1S/C42H39ClSi/c1-28-22-37(34-16-10-7-11-17-34)31(4)40(25-28)44(43,41-26-29(2)23-38(32(41)5)35-18-12-8-13-19-35)42-27-30(3)24-39(33(42)6)36-20-14-9-15-21-36/h7-27H,1-6H3
InChIKeyHZIOTQAGTMKYIA-UHFFFAOYSA-N
XLogP9.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.31
LogP ≤ 59.74
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-tris(2,5-dimethyl-3-phenylphenyl)silane?
The IUPAC name of chloro-tris(2,5-dimethyl-3-phenylphenyl)silane (CID 88962543) is chloro-tris(2,5-dimethyl-3-phenylphenyl)silane.
What is the SMILES notation for chloro-tris(2,5-dimethyl-3-phenylphenyl)silane?
The canonical SMILES for chloro-tris(2,5-dimethyl-3-phenylphenyl)silane is Cc1cc(-c2ccccc2)c(C)c([Si](Cl)(c2cc(C)cc(-c3ccccc3)c2C)c2cc(C)cc(-c3ccccc3)c2C)c1.
What is the InChIKey of chloro-tris(2,5-dimethyl-3-phenylphenyl)silane?
The InChIKey is HZIOTQAGTMKYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H39ClSi/c1-28-22-37(34-16-10-7-11-17-34)31(4)40(25-28)44(43,41-26-29(2)23-38(32(41)5)35-18-12-8-13-19-35)42-27-30(3)24-39(33(42)6)36-20-14-9-15-21-36/h7-27H,1-6H3.
What are the key properties of chloro-tris(2,5-dimethyl-3-phenylphenyl)silane?
chloro-tris(2,5-dimethyl-3-phenylphenyl)silane has a molecular weight of 607.31 g/mol, XLogP of 9.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tris(2,5-dimethyl-3-phenylphenyl)silane is sourced from PubChem (CID 88962543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).