chloro-tris(3-methyl-2,4-diphenylphenyl)silane

C57H45ClSi — CID 88962531

IUPACchloro-tris(3-methyl-2,4-diphenylphenyl)silane
SMILESCc1c(-c2ccccc2)ccc([Si](Cl)(c2ccc(-c3ccccc3)c(C)c2-c2ccccc2)c2ccc(-c3ccccc3)c(C)c2-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C57H45ClSi/c1-40-49(43-22-10-4-11-23-43)34-37-52(55(40)46-28-16-7-17-29-46)59(58,53-38-35-50(44-24-12-5-13-25-44)41(2)56(53)47-30-18-8-19-31-47)54-39-36-51(45-26-14-6-15-27-45)42(3)57(54)48-32-20-9-21-33-48/h4-39H,1-3H3
InChIKeyPTOVZQCWJQJQGD-UHFFFAOYSA-N
MW793.53 g/mol
LogP13.82
Rot. Bonds9

About chloro-tris(3-methyl-2,4-diphenylphenyl)silane

chloro-tris(3-methyl-2,4-diphenylphenyl)silane (PubChem CID 88962531) has the molecular formula C57H45ClSi and a molecular weight of 793.53 g/mol. Its IUPAC name is chloro-tris(3-methyl-2,4-diphenylphenyl)silane.

Molecular Properties

Compound Namechloro-tris(3-methyl-2,4-diphenylphenyl)silane
PubChem CID88962531
Molecular FormulaC57H45ClSi
Molecular Weight793.53 g/mol
Exact Mass792.30
IUPAC Namechloro-tris(3-methyl-2,4-diphenylphenyl)silane
SMILESCc1c(-c2ccccc2)ccc([Si](Cl)(c2ccc(-c3ccccc3)c(C)c2-c2ccccc2)c2ccc(-c3ccccc3)c(C)c2-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C57H45ClSi/c1-40-49(43-22-10-4-11-23-43)34-37-52(55(40)46-28-16-7-17-29-46)59(58,53-38-35-50(44-24-12-5-13-25-44)41(2)56(53)47-30-18-8-19-31-47)54-39-36-51(45-26-14-6-15-27-45)42(3)57(54)48-32-20-9-21-33-48/h4-39H,1-3H3
InChIKeyPTOVZQCWJQJQGD-UHFFFAOYSA-N
XLogP13.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.53
LogP ≤ 513.82
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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Related Compounds

chloro-tris(4,5-dimethyl-2,3-diphenylphenyl)silane
CID 88962669
chloro-tris(2,5-dimethyl-3-phenylphenyl)silane
CID 88962543
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
2,4-dimethyl-1,3,5-triphenylbenzene
CID 54408386
1-fluoro-2-methyl-3,4-diphenylbenzene
CID 90266529
chloro-tris(2,3-dimethyl-4,5,6-triphenylphenyl)silane
CID 88962714
chloro-tris(6-methyl-2,3,4-triphenylphenyl)silane
CID 88962348
CID 67611787
CID 67611787
1,2,3,4-tetraphenylbenzene;triazine
CID 175536377
2-methyl-3,4-diphenylbenzoic acid
CID 118554966
azane;1-methyl-2,3-diphenylbenzene
CID 175031313
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423

Frequently Asked Questions

What is the IUPAC name of chloro-tris(3-methyl-2,4-diphenylphenyl)silane?
The IUPAC name of chloro-tris(3-methyl-2,4-diphenylphenyl)silane (CID 88962531) is chloro-tris(3-methyl-2,4-diphenylphenyl)silane.
What is the SMILES notation for chloro-tris(3-methyl-2,4-diphenylphenyl)silane?
The canonical SMILES for chloro-tris(3-methyl-2,4-diphenylphenyl)silane is Cc1c(-c2ccccc2)ccc([Si](Cl)(c2ccc(-c3ccccc3)c(C)c2-c2ccccc2)c2ccc(-c3ccccc3)c(C)c2-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of chloro-tris(3-methyl-2,4-diphenylphenyl)silane?
The InChIKey is PTOVZQCWJQJQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H45ClSi/c1-40-49(43-22-10-4-11-23-43)34-37-52(55(40)46-28-16-7-17-29-46)59(58,53-38-35-50(44-24-12-5-13-25-44)41(2)56(53)47-30-18-8-19-31-47)54-39-36-51(45-26-14-6-15-27-45)42(3)57(54)48-32-20-9-21-33-48/h4-39H,1-3H3.
What are the key properties of chloro-tris(3-methyl-2,4-diphenylphenyl)silane?
chloro-tris(3-methyl-2,4-diphenylphenyl)silane has a molecular weight of 793.53 g/mol, XLogP of 13.82, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tris(3-methyl-2,4-diphenylphenyl)silane is sourced from PubChem (CID 88962531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).