dimethyl-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-1H-inden-1-yl]-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-3H-inden-1-yl]silane

C60H50N2S2Si — CID 58975418

IUPACdimethyl-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-1H-inden-1-yl]-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-3H-inden-1-yl]silane
SMILESCC1=Cc2c(cc(-c3ccc(C)cc3)cc2N2c3ccccc3Sc3ccccc32)C1[Si](C)(C)C1=C(C)Cc2c1cc(-c1ccc(C)cc1)cc2N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C60H50N2S2Si/c1-37-23-27-41(28-24-37)43-33-47-45(53(35-43)61-49-15-7-11-19-55(49)63-56-20-12-8-16-50(56)61)31-39(3)59(47)65(5,6)60-40(4)32-46-48(60)34-44(42-29-25-38(2)26-30-42)36-54(46)62-51-17-9-13-21-57(51)64-58-22-14-10-18-52(58)62/h7-31,33-36,59H,32H2,1-6H3
InChIKeyORKVIXZJDXBORY-UHFFFAOYSA-N
MW891.29 g/mol
LogP17.82
Rot. Bonds6

About dimethyl-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-1H-inden-1-yl]-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-3H-inden-1-yl]silane

dimethyl-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-1H-inden-1-yl]-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-3H-inden-1-yl]silane (PubChem CID 58975418) has the molecular formula C60H50N2S2Si and a molecular weight of 891.29 g/mol. Its IUPAC name is dimethyl-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-1H-inden-1-yl]-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-3H-inden-1-yl]silane.

Molecular Properties

Compound Namedimethyl-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-1H-inden-1-yl]-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-3H-inden-1-yl]silane
PubChem CID58975418
Molecular FormulaC60H50N2S2Si
Molecular Weight891.29 g/mol
Exact Mass890.32
IUPAC Namedimethyl-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-1H-inden-1-yl]-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-3H-inden-1-yl]silane
SMILESCC1=Cc2c(cc(-c3ccc(C)cc3)cc2N2c3ccccc3Sc3ccccc32)C1[Si](C)(C)C1=C(C)Cc2c1cc(-c1ccc(C)cc1)cc2N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C60H50N2S2Si/c1-37-23-27-41(28-24-37)43-33-47-45(53(35-43)61-49-15-7-11-19-55(49)63-56-20-12-8-16-50(56)61)31-39(3)59(47)65(5,6)60-40(4)32-46-48(60)34-44(42-29-25-38(2)26-30-42)36-54(46)62-51-17-9-13-21-57(51)64-58-22-14-10-18-52(58)62/h7-31,33-36,59H,32H2,1-6H3
InChIKeyORKVIXZJDXBORY-UHFFFAOYSA-N
XLogP17.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.29
LogP ≤ 517.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 dimethyl-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-1H-inden-1-yl]-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-3H-inden-1-yl]silane?
The IUPAC name of dimethyl-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-1H-inden-1-yl]-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-3H-inden-1-yl]silane (CID 58975418) is dimethyl-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-1H-inden-1-yl]-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-3H-inden-1-yl]silane.
What is the SMILES notation for dimethyl-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-1H-inden-1-yl]-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-3H-inden-1-yl]silane?
The canonical SMILES for dimethyl-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-1H-inden-1-yl]-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-3H-inden-1-yl]silane is CC1=Cc2c(cc(-c3ccc(C)cc3)cc2N2c3ccccc3Sc3ccccc32)C1[Si](C)(C)C1=C(C)Cc2c1cc(-c1ccc(C)cc1)cc2N1c2ccccc2Sc2ccccc21.
What is the InChIKey of dimethyl-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-1H-inden-1-yl]-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-3H-inden-1-yl]silane?
The InChIKey is ORKVIXZJDXBORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50N2S2Si/c1-37-23-27-41(28-24-37)43-33-47-45(53(35-43)61-49-15-7-11-19-55(49)63-56-20-12-8-16-50(56)61)31-39(3)59(47)65(5,6)60-40(4)32-46-48(60)34-44(42-29-25-38(2)26-30-42)36-54(46)62-51-17-9-13-21-57(51)64-58-22-14-10-18-52(58)62/h7-31,33-36,59H,32H2,1-6H3.
What are the key properties of dimethyl-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-1H-inden-1-yl]-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-3H-inden-1-yl]silane?
dimethyl-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-1H-inden-1-yl]-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-3H-inden-1-yl]silane has a molecular weight of 891.29 g/mol, XLogP of 17.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-1H-inden-1-yl]-[2-methyl-6-(4-methylphenyl)-4-phenothiazin-10-yl-3H-inden-1-yl]silane is sourced from PubChem (CID 58975418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).