7-[3-(3,5-diphenylphenyl)phenyl]-1,1-dimethyl-2,3-diphenyl-1-benzosilole

C46H36Si — CID 59133517

IUPAC7-[3-(3,5-diphenylphenyl)phenyl]-1,1-dimethyl-2,3-diphenyl-1-benzosilole
SMILESC[Si]1(C)C(c2ccccc2)=C(c2ccccc2)c2cccc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c21
InChIInChI=1S/C46H36Si/c1-47(2)45(36-23-13-6-14-24-36)44(35-21-11-5-12-22-35)43-28-16-27-42(46(43)47)38-26-15-25-37(29-38)41-31-39(33-17-7-3-8-18-33)30-40(32-41)34-19-9-4-10-20-34/h3-32H,1-2H3
InChIKeyIAJKGKNPHQLSAS-UHFFFAOYSA-N
MW616.88 g/mol
LogP11.78
Rot. Bonds6

About 7-[3-(3,5-diphenylphenyl)phenyl]-1,1-dimethyl-2,3-diphenyl-1-benzosilole

7-[3-(3,5-diphenylphenyl)phenyl]-1,1-dimethyl-2,3-diphenyl-1-benzosilole (PubChem CID 59133517) has the molecular formula C46H36Si and a molecular weight of 616.88 g/mol. Its IUPAC name is 7-[3-(3,5-diphenylphenyl)phenyl]-1,1-dimethyl-2,3-diphenyl-1-benzosilole.

Molecular Properties

Compound Name7-[3-(3,5-diphenylphenyl)phenyl]-1,1-dimethyl-2,3-diphenyl-1-benzosilole
PubChem CID59133517
Molecular FormulaC46H36Si
Molecular Weight616.88 g/mol
Exact Mass616.26
IUPAC Name7-[3-(3,5-diphenylphenyl)phenyl]-1,1-dimethyl-2,3-diphenyl-1-benzosilole
SMILESC[Si]1(C)C(c2ccccc2)=C(c2ccccc2)c2cccc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c21
InChIInChI=1S/C46H36Si/c1-47(2)45(36-23-13-6-14-24-36)44(35-21-11-5-12-22-35)43-28-16-27-42(46(43)47)38-26-15-25-37(29-38)41-31-39(33-17-7-3-8-18-33)30-40(32-41)34-19-9-4-10-20-34/h3-32H,1-2H3
InChIKeyIAJKGKNPHQLSAS-UHFFFAOYSA-N
XLogP11.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.88
LogP ≤ 511.78
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'}

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(3,5-diphenylphenyl)phenyl]-1,1-dimethyl-2,3-diphenyl-1-benzosilole?
The IUPAC name of 7-[3-(3,5-diphenylphenyl)phenyl]-1,1-dimethyl-2,3-diphenyl-1-benzosilole (CID 59133517) is 7-[3-(3,5-diphenylphenyl)phenyl]-1,1-dimethyl-2,3-diphenyl-1-benzosilole.
What is the SMILES notation for 7-[3-(3,5-diphenylphenyl)phenyl]-1,1-dimethyl-2,3-diphenyl-1-benzosilole?
The canonical SMILES for 7-[3-(3,5-diphenylphenyl)phenyl]-1,1-dimethyl-2,3-diphenyl-1-benzosilole is C[Si]1(C)C(c2ccccc2)=C(c2ccccc2)c2cccc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c21.
What is the InChIKey of 7-[3-(3,5-diphenylphenyl)phenyl]-1,1-dimethyl-2,3-diphenyl-1-benzosilole?
The InChIKey is IAJKGKNPHQLSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36Si/c1-47(2)45(36-23-13-6-14-24-36)44(35-21-11-5-12-22-35)43-28-16-27-42(46(43)47)38-26-15-25-37(29-38)41-31-39(33-17-7-3-8-18-33)30-40(32-41)34-19-9-4-10-20-34/h3-32H,1-2H3.
What are the key properties of 7-[3-(3,5-diphenylphenyl)phenyl]-1,1-dimethyl-2,3-diphenyl-1-benzosilole?
7-[3-(3,5-diphenylphenyl)phenyl]-1,1-dimethyl-2,3-diphenyl-1-benzosilole has a molecular weight of 616.88 g/mol, XLogP of 11.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3,5-diphenylphenyl)phenyl]-1,1-dimethyl-2,3-diphenyl-1-benzosilole is sourced from PubChem (CID 59133517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).