1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-diphenylindole

C34H27NSi — CID 140898660

IUPAC1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-diphenylindole
SMILESC[Si]1(C)c2ccccc2-c2ccc(-n3cc(-c4ccccc4)c4cc(-c5ccccc5)ccc43)cc21
InChIInChI=1S/C34H27NSi/c1-36(2)33-16-10-9-15-28(33)29-19-18-27(22-34(29)36)35-23-31(25-13-7-4-8-14-25)30-21-26(17-20-32(30)35)24-11-5-3-6-12-24/h3-23H,1-2H3
InChIKeyHDEJGJSBZLZQMC-UHFFFAOYSA-N
MW477.68 g/mol
LogP7.77
Rot. Bonds3

About 1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-diphenylindole

1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-diphenylindole (PubChem CID 140898660) has the molecular formula C34H27NSi and a molecular weight of 477.68 g/mol. Its IUPAC name is 1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-diphenylindole.

Molecular Properties

Compound Name1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-diphenylindole
PubChem CID140898660
Molecular FormulaC34H27NSi
Molecular Weight477.68 g/mol
Exact Mass477.19
IUPAC Name1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-diphenylindole
SMILESC[Si]1(C)c2ccccc2-c2ccc(-n3cc(-c4ccccc4)c4cc(-c5ccccc5)ccc43)cc21
InChIInChI=1S/C34H27NSi/c1-36(2)33-16-10-9-15-28(33)29-19-18-27(22-34(29)36)35-23-31(25-13-7-4-8-14-25)30-21-26(17-20-32(30)35)24-11-5-3-6-12-24/h3-23H,1-2H3
InChIKeyHDEJGJSBZLZQMC-UHFFFAOYSA-N
XLogP7.77
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.68
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenylphenyl)indole
CID 160639859
1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-di(phenanthren-9-yl)indole
CID 140898678
3-bromo-5,5-dimethylbenzo[b][1]benzosilole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenanthren-9-ylphenyl)indole;methane;molecular hydrogen;9-[4-[3-(4-phenanthren-9-ylphenyl)-1H-inden-5-yl]phenyl]phenanthrene
CID 160540414
1-(3,5-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]indole
CID 126620681
1,3,5-tris(3,5-diphenylphenyl)indole
CID 126620752
1-[4-(8-phenyldibenzofuran-2-yl)phenyl]-3,5-bis(4-phenylphenyl)indole
CID 126620700
3,5-bis(4-phenanthren-9-ylphenyl)-1-(4-phenylphenyl)indole
CID 126620677
1-(5-methyldibenzothiophen-5-ium-3-yl)-3,5-bis(4-phenylphenyl)indole
CID 145261669
1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole
CID 126620554
1-dibenzothiophen-2-yl-3,5-bis(4-phenylphenyl)indole
CID 126620581
1-(5,5-dimethyl-7-phenyldibenzothiophen-3-yl)-3,5-bis(4-phenanthren-9-ylphenyl)indole
CID 126620713
4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 155787420

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-diphenylindole?
The IUPAC name of 1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-diphenylindole (CID 140898660) is 1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-diphenylindole.
What is the SMILES notation for 1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-diphenylindole?
The canonical SMILES for 1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-diphenylindole is C[Si]1(C)c2ccccc2-c2ccc(-n3cc(-c4ccccc4)c4cc(-c5ccccc5)ccc43)cc21.
What is the InChIKey of 1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-diphenylindole?
The InChIKey is HDEJGJSBZLZQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27NSi/c1-36(2)33-16-10-9-15-28(33)29-19-18-27(22-34(29)36)35-23-31(25-13-7-4-8-14-25)30-21-26(17-20-32(30)35)24-11-5-3-6-12-24/h3-23H,1-2H3.
What are the key properties of 1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-diphenylindole?
1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-diphenylindole has a molecular weight of 477.68 g/mol, XLogP of 7.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-diphenylindole is sourced from PubChem (CID 140898660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).