chloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane

C42H39ClSi — CID 88962487

IUPACchloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane
SMILESCc1cccc(Cc2ccccc2[Si](Cl)(c2ccccc2Cc2cccc(C)c2)c2ccccc2Cc2cccc(C)c2)c1
InChIInChI=1S/C42H39ClSi/c1-31-13-10-16-34(25-31)28-37-19-4-7-22-40(37)44(43,41-23-8-5-20-38(41)29-35-17-11-14-32(2)26-35)42-24-9-6-21-39(42)30-36-18-12-15-33(3)27-36/h4-27H,28-30H2,1-3H3
InChIKeyOESZFOJBFIAKOR-UHFFFAOYSA-N
MW607.31 g/mol
LogP8.59
Rot. Bonds9

About chloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane

chloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane (PubChem CID 88962487) has the molecular formula C42H39ClSi and a molecular weight of 607.31 g/mol. Its IUPAC name is chloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane.

Molecular Properties

Compound Namechloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane
PubChem CID88962487
Molecular FormulaC42H39ClSi
Molecular Weight607.31 g/mol
Exact Mass606.25
IUPAC Namechloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane
SMILESCc1cccc(Cc2ccccc2[Si](Cl)(c2ccccc2Cc2cccc(C)c2)c2ccccc2Cc2cccc(C)c2)c1
InChIInChI=1S/C42H39ClSi/c1-31-13-10-16-34(25-31)28-37-19-4-7-22-40(37)44(43,41-23-8-5-20-38(41)29-35-17-11-14-32(2)26-35)42-24-9-6-21-39(42)30-36-18-12-15-33(3)27-36/h4-27H,28-30H2,1-3H3
InChIKeyOESZFOJBFIAKOR-UHFFFAOYSA-N
XLogP8.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.31
LogP ≤ 58.59
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'}

Analyze chloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(2-benzyl-5-methylphenyl)-chlorosilane
CID 88962364
chloro-tris(2,4-dibenzyl-5-methylphenyl)silane
CID 88962437
1-methyl-2-[2-(3-methylphenyl)ethyl]benzene
CID 13419836
1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene
CID 91017435
3-[(2-trimethylsilylphenyl)methyl]phenol
CID 171716638
5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole
CID 69037485
[2-[(3-methylphenyl)methyl]phenyl] trifluoromethanesulfonate
CID 118088046
4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine
CID 140918296
[2-[(3-methoxyphenyl)methyl]phenyl]-trimethylsilane
CID 171716633
ethane;2-hydroxy-6-[(3-methylphenyl)methyl]benzoic acid
CID 54516669
CID 140940362
CID 140940362
3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58086816

Frequently Asked Questions

What is the IUPAC name of chloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane?
The IUPAC name of chloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane (CID 88962487) is chloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane.
What is the SMILES notation for chloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane?
The canonical SMILES for chloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane is Cc1cccc(Cc2ccccc2[Si](Cl)(c2ccccc2Cc2cccc(C)c2)c2ccccc2Cc2cccc(C)c2)c1.
What is the InChIKey of chloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane?
The InChIKey is OESZFOJBFIAKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H39ClSi/c1-31-13-10-16-34(25-31)28-37-19-4-7-22-40(37)44(43,41-23-8-5-20-38(41)29-35-17-11-14-32(2)26-35)42-24-9-6-21-39(42)30-36-18-12-15-33(3)27-36/h4-27H,28-30H2,1-3H3.
What are the key properties of chloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane?
chloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane has a molecular weight of 607.31 g/mol, XLogP of 8.59, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane is sourced from PubChem (CID 88962487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).