bis[7-(4-ethylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane

C48H44Si — CID 87558709

IUPACbis[7-(4-ethylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane
SMILESCCc1ccc(-c2cccc3c2C([Si](C)(C)C2=C(c4ccccc4)Cc4cccc(-c5ccc(CC)cc5)c42)=C(c2ccccc2)C3)cc1
InChIInChI=1S/C48H44Si/c1-5-33-23-27-37(28-24-33)41-21-13-19-39-31-43(35-15-9-7-10-16-35)47(45(39)41)49(3,4)48-44(36-17-11-8-12-18-36)32-40-20-14-22-42(46(40)48)38-29-25-34(6-2)26-30-38/h7-30H,5-6,31-32H2,1-4H3
InChIKeyAOJVNQGQYLPQID-UHFFFAOYSA-N
MW648.97 g/mol
LogP12.57
Rot. Bonds8

About bis[7-(4-ethylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane

bis[7-(4-ethylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane (PubChem CID 87558709) has the molecular formula C48H44Si and a molecular weight of 648.97 g/mol. Its IUPAC name is bis[7-(4-ethylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[7-(4-ethylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane
PubChem CID87558709
Molecular FormulaC48H44Si
Molecular Weight648.97 g/mol
Exact Mass648.32
IUPAC Namebis[7-(4-ethylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane
SMILESCCc1ccc(-c2cccc3c2C([Si](C)(C)C2=C(c4ccccc4)Cc4cccc(-c5ccc(CC)cc5)c42)=C(c2ccccc2)C3)cc1
InChIInChI=1S/C48H44Si/c1-5-33-23-27-37(28-24-33)41-21-13-19-39-31-43(35-15-9-7-10-16-35)47(45(39)41)49(3,4)48-44(36-17-11-8-12-18-36)32-40-20-14-22-42(46(40)48)38-29-25-34(6-2)26-30-38/h7-30H,5-6,31-32H2,1-4H3
InChIKeyAOJVNQGQYLPQID-UHFFFAOYSA-N
XLogP12.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.97
LogP ≤ 512.57
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'}

Analyze bis[7-(4-ethylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane 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

bis[7-(4-tert-butylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane
CID 87558333
1-ethyl-4-(2-phenylphenyl)benzene;sulfane
CID 160558702
1,4-bis(4-ethylphenyl)-9H-fluorene
CID 101426750
1,2-bis(4-ethylphenyl)-9H-fluorene
CID 151520467
bis(4-methylphenyl)-bis(2-methyl-7-phenyl-3H-inden-1-yl)silane
CID 87864949
1-chloro-4-[2-(4-ethylphenyl)phenyl]benzene
CID 166659313
benzyl-bis(2-ethyl-7-phenyl-3H-inden-1-yl)silane
CID 173140107
4-ethyl-N-(4-ethylphenyl)-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]aniline
CID 59228323
ethane;1-ethyl-4-phenylbenzene;methane
CID 142852812
acetylene;1-ethyl-4-phenylbenzene
CID 175126841
4-ethyl-1-[2-(4-ethylphenyl)phenyl]-9H-fluorene
CID 150954424
4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121323857

Frequently Asked Questions

What is the IUPAC name of bis[7-(4-ethylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane?
The IUPAC name of bis[7-(4-ethylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane (CID 87558709) is bis[7-(4-ethylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for bis[7-(4-ethylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane?
The canonical SMILES for bis[7-(4-ethylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane is CCc1ccc(-c2cccc3c2C([Si](C)(C)C2=C(c4ccccc4)Cc4cccc(-c5ccc(CC)cc5)c42)=C(c2ccccc2)C3)cc1.
What is the InChIKey of bis[7-(4-ethylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane?
The InChIKey is AOJVNQGQYLPQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H44Si/c1-5-33-23-27-37(28-24-33)41-21-13-19-39-31-43(35-15-9-7-10-16-35)47(45(39)41)49(3,4)48-44(36-17-11-8-12-18-36)32-40-20-14-22-42(46(40)48)38-29-25-34(6-2)26-30-38/h7-30H,5-6,31-32H2,1-4H3.
What are the key properties of bis[7-(4-ethylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane?
bis[7-(4-ethylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane has a molecular weight of 648.97 g/mol, XLogP of 12.57, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[7-(4-ethylphenyl)-2-phenyl-3H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 87558709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).