chloro-tris(2,3-dimethyl-4,5,6-triphenylphenyl)silane

C78H63ClSi — CID 88962714

IUPACchloro-tris(2,3-dimethyl-4,5,6-triphenylphenyl)silane
SMILESCc1c(C)c([Si](Cl)(c2c(C)c(C)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c2c(C)c(C)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C78H63ClSi/c1-52-55(4)76(73(64-46-28-13-29-47-64)70(61-40-22-10-23-41-61)67(52)58-34-16-7-17-35-58)80(79,77-56(5)53(2)68(59-36-18-8-19-37-59)71(62-42-24-11-25-43-62)74(77)65-48-30-14-31-49-65)78-57(6)54(3)69(60-38-20-9-21-39-60)72(63-44-26-12-27-45-63)75(78)66-50-32-15-33-51-66/h7-51H,1-6H3
InChIKeyKMEXMPBTJMJYQQ-UHFFFAOYSA-N
MW1063.90 g/mol
LogP19.75
Rot. Bonds12

About chloro-tris(2,3-dimethyl-4,5,6-triphenylphenyl)silane

chloro-tris(2,3-dimethyl-4,5,6-triphenylphenyl)silane (PubChem CID 88962714) has the molecular formula C78H63ClSi and a molecular weight of 1063.90 g/mol. Its IUPAC name is chloro-tris(2,3-dimethyl-4,5,6-triphenylphenyl)silane.

Molecular Properties

Compound Namechloro-tris(2,3-dimethyl-4,5,6-triphenylphenyl)silane
PubChem CID88962714
Molecular FormulaC78H63ClSi
Molecular Weight1063.90 g/mol
Exact Mass1062.44
IUPAC Namechloro-tris(2,3-dimethyl-4,5,6-triphenylphenyl)silane
SMILESCc1c(C)c([Si](Cl)(c2c(C)c(C)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c2c(C)c(C)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C78H63ClSi/c1-52-55(4)76(73(64-46-28-13-29-47-64)70(61-40-22-10-23-41-61)67(52)58-34-16-7-17-35-58)80(79,77-56(5)53(2)68(59-36-18-8-19-37-59)71(62-42-24-11-25-43-62)74(77)65-48-30-14-31-49-65)78-57(6)54(3)69(60-38-20-9-21-39-60)72(63-44-26-12-27-45-63)75(78)66-50-32-15-33-51-66/h7-51H,1-6H3
InChIKeyKMEXMPBTJMJYQQ-UHFFFAOYSA-N
XLogP19.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.90
LogP ≤ 519.75
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-dimethyl-4,5,6-triphenylphenyl)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

chloro-tris(6-methyl-2,3,4-triphenylphenyl)silane
CID 88962348
chloro-tris(4,5-dimethyl-2,3-diphenylphenyl)silane
CID 88962669
ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
CID 91414507
chloro-tris(3-methyl-2,4-diphenylphenyl)silane
CID 88962531
tris(3-methyl-2,4,5,6-tetraphenylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 123940092
2-(2-methyl-3,4,5,6-tetraphenylphenyl)pyridine
CID 23597792
1,2,3,5-tetramethyl-4-phenylbenzene
CID 14973977
chloro-tris[4-(2,3,4,5,6-pentamethylphenyl)phenyl]silane
CID 88962612
1,2,3,4,5,6,8-heptamethyl-7,9,10-triphenylanthracene
CID 59002262
1,2,5-trimethyl-3,4-diphenylbenzene
CID 19420158
4,5,6,9,10,11,14,15,16-nonamethyl-3,17-diphenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 163458422
1,4-dimethyl-2,3-diphenylanthracene
CID 44632824

Frequently Asked Questions

What is the IUPAC name of chloro-tris(2,3-dimethyl-4,5,6-triphenylphenyl)silane?
The IUPAC name of chloro-tris(2,3-dimethyl-4,5,6-triphenylphenyl)silane (CID 88962714) is chloro-tris(2,3-dimethyl-4,5,6-triphenylphenyl)silane.
What is the SMILES notation for chloro-tris(2,3-dimethyl-4,5,6-triphenylphenyl)silane?
The canonical SMILES for chloro-tris(2,3-dimethyl-4,5,6-triphenylphenyl)silane is Cc1c(C)c([Si](Cl)(c2c(C)c(C)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c2c(C)c(C)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of chloro-tris(2,3-dimethyl-4,5,6-triphenylphenyl)silane?
The InChIKey is KMEXMPBTJMJYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H63ClSi/c1-52-55(4)76(73(64-46-28-13-29-47-64)70(61-40-22-10-23-41-61)67(52)58-34-16-7-17-35-58)80(79,77-56(5)53(2)68(59-36-18-8-19-37-59)71(62-42-24-11-25-43-62)74(77)65-48-30-14-31-49-65)78-57(6)54(3)69(60-38-20-9-21-39-60)72(63-44-26-12-27-45-63)75(78)66-50-32-15-33-51-66/h7-51H,1-6H3.
What are the key properties of chloro-tris(2,3-dimethyl-4,5,6-triphenylphenyl)silane?
chloro-tris(2,3-dimethyl-4,5,6-triphenylphenyl)silane has a molecular weight of 1063.90 g/mol, XLogP of 19.75, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-tris(2,3-dimethyl-4,5,6-triphenylphenyl)silane is sourced from PubChem (CID 88962714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).