5-(7,10-diphenylfluoranthen-8-yl)-5-methylbenzo[b][1]benzosilole

C41H28Si — CID 59501672

IUPAC5-(7,10-diphenylfluoranthen-8-yl)-5-methylbenzo[b][1]benzosilole
SMILESC[Si]1(c2cc(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4cccc-3c24)c2ccccc2-c2ccccc21
InChIInChI=1S/C41H28Si/c1-42(35-24-10-8-20-30(35)31-21-9-11-25-36(31)42)37-26-34(27-14-4-2-5-15-27)40-32-22-12-18-28-19-13-23-33(38(28)32)41(40)39(37)29-16-6-3-7-17-29/h2-26H,1H3
InChIKeyDMIPTIRGCZRNTK-UHFFFAOYSA-N
MW548.76 g/mol
LogP8.90
Rot. Bonds3

About 5-(7,10-diphenylfluoranthen-8-yl)-5-methylbenzo[b][1]benzosilole

5-(7,10-diphenylfluoranthen-8-yl)-5-methylbenzo[b][1]benzosilole (PubChem CID 59501672) has the molecular formula C41H28Si and a molecular weight of 548.76 g/mol. Its IUPAC name is 5-(7,10-diphenylfluoranthen-8-yl)-5-methylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name5-(7,10-diphenylfluoranthen-8-yl)-5-methylbenzo[b][1]benzosilole
PubChem CID59501672
Molecular FormulaC41H28Si
Molecular Weight548.76 g/mol
Exact Mass548.20
IUPAC Name5-(7,10-diphenylfluoranthen-8-yl)-5-methylbenzo[b][1]benzosilole
SMILESC[Si]1(c2cc(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4cccc-3c24)c2ccccc2-c2ccccc21
InChIInChI=1S/C41H28Si/c1-42(35-24-10-8-20-30(35)31-21-9-11-25-36(31)42)37-26-34(27-14-4-2-5-15-27)40-32-22-12-18-28-19-13-23-33(38(28)32)41(40)39(37)29-16-6-3-7-17-29/h2-26H,1H3
InChIKeyDMIPTIRGCZRNTK-UHFFFAOYSA-N
XLogP8.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.76
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(7,10-diphenylfluoranthen-8-yl)-5-methylbenzo[b][1]benzosilole?
The IUPAC name of 5-(7,10-diphenylfluoranthen-8-yl)-5-methylbenzo[b][1]benzosilole (CID 59501672) is 5-(7,10-diphenylfluoranthen-8-yl)-5-methylbenzo[b][1]benzosilole.
What is the SMILES notation for 5-(7,10-diphenylfluoranthen-8-yl)-5-methylbenzo[b][1]benzosilole?
The canonical SMILES for 5-(7,10-diphenylfluoranthen-8-yl)-5-methylbenzo[b][1]benzosilole is C[Si]1(c2cc(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4cccc-3c24)c2ccccc2-c2ccccc21.
What is the InChIKey of 5-(7,10-diphenylfluoranthen-8-yl)-5-methylbenzo[b][1]benzosilole?
The InChIKey is DMIPTIRGCZRNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28Si/c1-42(35-24-10-8-20-30(35)31-21-9-11-25-36(31)42)37-26-34(27-14-4-2-5-15-27)40-32-22-12-18-28-19-13-23-33(38(28)32)41(40)39(37)29-16-6-3-7-17-29/h2-26H,1H3.
What are the key properties of 5-(7,10-diphenylfluoranthen-8-yl)-5-methylbenzo[b][1]benzosilole?
5-(7,10-diphenylfluoranthen-8-yl)-5-methylbenzo[b][1]benzosilole has a molecular weight of 548.76 g/mol, XLogP of 8.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7,10-diphenylfluoranthen-8-yl)-5-methylbenzo[b][1]benzosilole is sourced from PubChem (CID 59501672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).