[3-(9,9-dimethylacridin-10-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-diphenylsilane

C48H41NSSi — CID 140831743

IUPAC[3-(9,9-dimethylacridin-10-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-diphenylsilane
SMILESCC1(C)c2ccccc2N(c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3Sc3ccccc3C4(C)C)c2)c2ccccc21
InChIInChI=1S/C48H41NSSi/c1-47(2)38-25-11-14-29-42(38)49(43-30-15-12-26-39(43)47)34-19-17-24-37(33-34)51(35-20-7-5-8-21-35,36-22-9-6-10-23-36)45-32-18-28-41-46(45)50-44-31-16-13-27-40(44)48(41,3)4/h5-33H,1-4H3
InChIKeyKNBVYKUGJWFRAO-UHFFFAOYSA-N
MW692.02 g/mol
LogP9.96
Rot. Bonds5

About [3-(9,9-dimethylacridin-10-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-diphenylsilane

[3-(9,9-dimethylacridin-10-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-diphenylsilane (PubChem CID 140831743) has the molecular formula C48H41NSSi and a molecular weight of 692.02 g/mol. Its IUPAC name is [3-(9,9-dimethylacridin-10-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-diphenylsilane.

Molecular Properties

Compound Name[3-(9,9-dimethylacridin-10-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-diphenylsilane
PubChem CID140831743
Molecular FormulaC48H41NSSi
Molecular Weight692.02 g/mol
Exact Mass691.27
IUPAC Name[3-(9,9-dimethylacridin-10-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-diphenylsilane
SMILESCC1(C)c2ccccc2N(c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3Sc3ccccc3C4(C)C)c2)c2ccccc21
InChIInChI=1S/C48H41NSSi/c1-47(2)38-25-11-14-29-42(38)49(43-30-15-12-26-39(43)47)34-19-17-24-37(33-34)51(35-20-7-5-8-21-35,36-22-9-6-10-23-36)45-32-18-28-41-46(45)50-44-31-16-13-27-40(44)48(41,3)4/h5-33H,1-4H3
InChIKeyKNBVYKUGJWFRAO-UHFFFAOYSA-N
XLogP9.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.02
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[9,9-bis(trideuteriomethyl)thioxanthen-4-yl]-[3-[9,9-bis(trideuteriomethyl)thioxanthen-4-yl]-4-tert-butylphenyl]-diphenylsilane
CID 168793188
2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine
CID 142356251
[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4-pyridinyl]-[9-methyl-9-(trideuteriomethyl)thioxanthen-4-yl]-diphenylsilane
CID 161076651
10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-3-yl]-9,9-dimethylacridine
CID 153150378
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-2-yl]-9,9-dimethyl-10-phenylacridine
CID 134578950
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
14,14-dimethyl-8-phenyl-1,8-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 118443210
(9,9-dimethylthioxanthen-4-yl)boronic acid
CID 123294352
10-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)phenothiazine
CID 146495406
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
[3-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-4-(trideuteriomethyl)phenyl]-diphenyl-(5,5,6,6-tetramethylbenzo[b][1]benzothiepin-1-yl)silane
CID 140937397
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166

Frequently Asked Questions

What is the IUPAC name of [3-(9,9-dimethylacridin-10-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-diphenylsilane?
The IUPAC name of [3-(9,9-dimethylacridin-10-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-diphenylsilane (CID 140831743) is [3-(9,9-dimethylacridin-10-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-diphenylsilane.
What is the SMILES notation for [3-(9,9-dimethylacridin-10-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-diphenylsilane?
The canonical SMILES for [3-(9,9-dimethylacridin-10-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-diphenylsilane is CC1(C)c2ccccc2N(c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3Sc3ccccc3C4(C)C)c2)c2ccccc21.
What is the InChIKey of [3-(9,9-dimethylacridin-10-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-diphenylsilane?
The InChIKey is KNBVYKUGJWFRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H41NSSi/c1-47(2)38-25-11-14-29-42(38)49(43-30-15-12-26-39(43)47)34-19-17-24-37(33-34)51(35-20-7-5-8-21-35,36-22-9-6-10-23-36)45-32-18-28-41-46(45)50-44-31-16-13-27-40(44)48(41,3)4/h5-33H,1-4H3.
What are the key properties of [3-(9,9-dimethylacridin-10-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-diphenylsilane?
[3-(9,9-dimethylacridin-10-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-diphenylsilane has a molecular weight of 692.02 g/mol, XLogP of 9.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(9,9-dimethylacridin-10-yl)phenyl]-(9,9-dimethylthioxanthen-4-yl)-diphenylsilane is sourced from PubChem (CID 140831743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).