bis(3-methyl-1,2-diphenyl-3H-inden-4-yl)-diphenylsilane

C56H44Si — CID 139707729

IUPACbis(3-methyl-1,2-diphenyl-3H-inden-4-yl)-diphenylsilane
SMILESCC1C(c2ccccc2)=C(c2ccccc2)c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3C(C)C(c3ccccc3)=C4c3ccccc3)c21
InChIInChI=1S/C56H44Si/c1-39-51(41-23-9-3-10-24-41)55(43-27-13-5-14-28-43)47-35-21-37-49(53(39)47)57(45-31-17-7-18-32-45,46-33-19-8-20-34-46)50-38-22-36-48-54(50)40(2)52(42-25-11-4-12-26-42)56(48)44-29-15-6-16-30-44/h3-40H,1-2H3
InChIKeyHPHYSYJUHVAFFA-UHFFFAOYSA-N
MW745.05 g/mol
LogP11.22
Rot. Bonds8

About bis(3-methyl-1,2-diphenyl-3H-inden-4-yl)-diphenylsilane

bis(3-methyl-1,2-diphenyl-3H-inden-4-yl)-diphenylsilane (PubChem CID 139707729) has the molecular formula C56H44Si and a molecular weight of 745.05 g/mol. Its IUPAC name is bis(3-methyl-1,2-diphenyl-3H-inden-4-yl)-diphenylsilane.

Molecular Properties

Compound Namebis(3-methyl-1,2-diphenyl-3H-inden-4-yl)-diphenylsilane
PubChem CID139707729
Molecular FormulaC56H44Si
Molecular Weight745.05 g/mol
Exact Mass744.32
IUPAC Namebis(3-methyl-1,2-diphenyl-3H-inden-4-yl)-diphenylsilane
SMILESCC1C(c2ccccc2)=C(c2ccccc2)c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3C(C)C(c3ccccc3)=C4c3ccccc3)c21
InChIInChI=1S/C56H44Si/c1-39-51(41-23-9-3-10-24-41)55(43-27-13-5-14-28-43)47-35-21-37-49(53(39)47)57(45-31-17-7-18-32-45,46-33-19-8-20-34-46)50-38-22-36-48-54(50)40(2)52(42-25-11-4-12-26-42)56(48)44-29-15-6-16-30-44/h3-40H,1-2H3
InChIKeyHPHYSYJUHVAFFA-UHFFFAOYSA-N
XLogP11.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.05
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze bis(3-methyl-1,2-diphenyl-3H-inden-4-yl)-diphenylsilane 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

dimethyl-bis(3-methyl-1,2-diphenyl-3H-inden-4-yl)germane
CID 139707783
bis(2,3-dimethyl-7-phenyl-3H-inden-4-yl)-diphenylsilane
CID 139707766
triphenyl-[3-[4-phenyl-6-[2-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 161126582
diphenyl-(3-phenylphenyl)-[13-(4-phenyl-6-triphenylsilyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]silane
CID 164844651
[3-[4-[2-[3-[4,6-bis(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 161006007
methoxy-diphenyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)silane
CID 102274774
[13-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl]-diphenyl-(3-phenylphenyl)silane
CID 164844659
2-chloro-1-methyl-3-phenyl-1H-indene
CID 13149961
3-fluoro-1-methyl-2-phenyl-1H-indene
CID 86003078
[2-[4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 166569952
trimethyl-(2-triphenylsilylphenyl)silane
CID 91070759
(13-dibenzothiophen-1-yl-3-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-(3,5-diphenylphenyl)-diphenylsilane
CID 164844738

Frequently Asked Questions

What is the IUPAC name of bis(3-methyl-1,2-diphenyl-3H-inden-4-yl)-diphenylsilane?
The IUPAC name of bis(3-methyl-1,2-diphenyl-3H-inden-4-yl)-diphenylsilane (CID 139707729) is bis(3-methyl-1,2-diphenyl-3H-inden-4-yl)-diphenylsilane.
What is the SMILES notation for bis(3-methyl-1,2-diphenyl-3H-inden-4-yl)-diphenylsilane?
The canonical SMILES for bis(3-methyl-1,2-diphenyl-3H-inden-4-yl)-diphenylsilane is CC1C(c2ccccc2)=C(c2ccccc2)c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3C(C)C(c3ccccc3)=C4c3ccccc3)c21.
What is the InChIKey of bis(3-methyl-1,2-diphenyl-3H-inden-4-yl)-diphenylsilane?
The InChIKey is HPHYSYJUHVAFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44Si/c1-39-51(41-23-9-3-10-24-41)55(43-27-13-5-14-28-43)47-35-21-37-49(53(39)47)57(45-31-17-7-18-32-45,46-33-19-8-20-34-46)50-38-22-36-48-54(50)40(2)52(42-25-11-4-12-26-42)56(48)44-29-15-6-16-30-44/h3-40H,1-2H3.
What are the key properties of bis(3-methyl-1,2-diphenyl-3H-inden-4-yl)-diphenylsilane?
bis(3-methyl-1,2-diphenyl-3H-inden-4-yl)-diphenylsilane has a molecular weight of 745.05 g/mol, XLogP of 11.22, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methyl-1,2-diphenyl-3H-inden-4-yl)-diphenylsilane is sourced from PubChem (CID 139707729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).