[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-7-trimethylsilylxanthen-2-yl]-trimethylsilane

C57H52N6OSi2 — CID 123879899

IUPAC[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-7-trimethylsilylxanthen-2-yl]-trimethylsilane
SMILESCC1(C)c2cc([Si](C)(C)C)cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2Oc2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc([Si](C)(C)C)cc21
InChIInChI=1S/C57H52N6OSi2/c1-57(2)47-35-43(65(3,4)5)33-45(41-30-21-31-42(32-41)55-60-51(37-22-13-9-14-23-37)58-52(61-55)38-24-15-10-16-25-38)49(47)64-50-46(34-44(36-48(50)57)66(6,7)8)56-62-53(39-26-17-11-18-27-39)59-54(63-56)40-28-19-12-20-29-40/h9-36H,1-8H3
InChIKeyCZZUQXPIFRALAV-UHFFFAOYSA-N
MW893.26 g/mol
LogP13.25
Rot. Bonds9

About [4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-7-trimethylsilylxanthen-2-yl]-trimethylsilane

[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-7-trimethylsilylxanthen-2-yl]-trimethylsilane (PubChem CID 123879899) has the molecular formula C57H52N6OSi2 and a molecular weight of 893.26 g/mol. Its IUPAC name is [4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-7-trimethylsilylxanthen-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-7-trimethylsilylxanthen-2-yl]-trimethylsilane
PubChem CID123879899
Molecular FormulaC57H52N6OSi2
Molecular Weight893.26 g/mol
Exact Mass892.37
IUPAC Name[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-7-trimethylsilylxanthen-2-yl]-trimethylsilane
SMILESCC1(C)c2cc([Si](C)(C)C)cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2Oc2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc([Si](C)(C)C)cc21
InChIInChI=1S/C57H52N6OSi2/c1-57(2)47-35-43(65(3,4)5)33-45(41-30-21-31-42(32-41)55-60-51(37-22-13-9-14-23-37)58-52(61-55)38-24-15-10-16-25-38)49(47)64-50-46(34-44(36-48(50)57)66(6,7)8)56-62-53(39-26-17-11-18-27-39)59-54(63-56)40-28-19-12-20-29-40/h9-36H,1-8H3
InChIKeyCZZUQXPIFRALAV-UHFFFAOYSA-N
XLogP13.25
TPSA86.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.26
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-7-trimethylsilylxanthen-2-yl]-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-7-trimethylsilylxanthen-2-yl]-trimethylsilane?
The IUPAC name of [4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-7-trimethylsilylxanthen-2-yl]-trimethylsilane (CID 123879899) is [4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-7-trimethylsilylxanthen-2-yl]-trimethylsilane.
What is the SMILES notation for [4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-7-trimethylsilylxanthen-2-yl]-trimethylsilane?
The canonical SMILES for [4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-7-trimethylsilylxanthen-2-yl]-trimethylsilane is CC1(C)c2cc([Si](C)(C)C)cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2Oc2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc([Si](C)(C)C)cc21.
What is the InChIKey of [4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-7-trimethylsilylxanthen-2-yl]-trimethylsilane?
The InChIKey is CZZUQXPIFRALAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H52N6OSi2/c1-57(2)47-35-43(65(3,4)5)33-45(41-30-21-31-42(32-41)55-60-51(37-22-13-9-14-23-37)58-52(61-55)38-24-15-10-16-25-38)49(47)64-50-46(34-44(36-48(50)57)66(6,7)8)56-62-53(39-26-17-11-18-27-39)59-54(63-56)40-28-19-12-20-29-40/h9-36H,1-8H3.
What are the key properties of [4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-7-trimethylsilylxanthen-2-yl]-trimethylsilane?
[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-7-trimethylsilylxanthen-2-yl]-trimethylsilane has a molecular weight of 893.26 g/mol, XLogP of 13.25, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-7-trimethylsilylxanthen-2-yl]-trimethylsilane is sourced from PubChem (CID 123879899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).