[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]phenyl]-triphenylsilane

C59H41N3Si — CID 156690632

IUPAC[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]phenyl]-triphenylsilane
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)c(-c4cc5ccccc5c5ccccc45)c3)n2)cc1
InChIInChI=1S/C59H41N3Si/c1-6-21-42(22-7-1)57-60-58(43-23-8-2-9-24-43)62-59(61-57)46-37-38-52(55(41-46)56-40-45-25-16-17-34-51(45)53-35-18-19-36-54(53)56)44-26-20-33-50(39-44)63(47-27-10-3-11-28-47,48-29-12-4-13-30-48)49-31-14-5-15-32-49/h1-41H
InChIKeyQCSCMTKLYVHPIX-UHFFFAOYSA-N
MW820.08 g/mol
LogP11.89
Rot. Bonds9

About [3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]phenyl]-triphenylsilane

[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]phenyl]-triphenylsilane (PubChem CID 156690632) has the molecular formula C59H41N3Si and a molecular weight of 820.08 g/mol. Its IUPAC name is [3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]phenyl]-triphenylsilane
PubChem CID156690632
Molecular FormulaC59H41N3Si
Molecular Weight820.08 g/mol
Exact Mass819.31
IUPAC Name[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]phenyl]-triphenylsilane
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)c(-c4cc5ccccc5c5ccccc45)c3)n2)cc1
InChIInChI=1S/C59H41N3Si/c1-6-21-42(22-7-1)57-60-58(43-23-8-2-9-24-43)62-59(61-57)46-37-38-52(55(41-46)56-40-45-25-16-17-34-51(45)53-35-18-19-36-54(53)56)44-26-20-33-50(39-44)63(47-27-10-3-11-28-47,48-29-12-4-13-30-48)49-31-14-5-15-32-49/h1-41H
InChIKeyQCSCMTKLYVHPIX-UHFFFAOYSA-N
XLogP11.89
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.08
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-(3-phenanthren-9-yl-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 175324946
[3-[4-[4-[4-[4,6-bis(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 158387824
triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane
CID 155622091
[3-[4-[2-[3-[4,6-bis(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 161006007
triphenyl-[3-[4-phenyl-6-[2-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 161126582
2-naphthalen-2-yl-4-(3-phenanthren-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 165044168
[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
CID 161136668
2-[3-(2-naphthalen-1-yl-4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297158
2-(4-phenanthren-9-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150845
2-[3-naphthalen-1-yl-4-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146187509
2,4-diphenyl-6-[3-(10-tetraphenylen-2-ylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 138553182
[3-(4-chrysen-3-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
CID 166569924

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]phenyl]-triphenylsilane?
The IUPAC name of [3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]phenyl]-triphenylsilane (CID 156690632) is [3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]phenyl]-triphenylsilane?
The canonical SMILES for [3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]phenyl]-triphenylsilane is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)c(-c4cc5ccccc5c5ccccc45)c3)n2)cc1.
What is the InChIKey of [3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]phenyl]-triphenylsilane?
The InChIKey is QCSCMTKLYVHPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N3Si/c1-6-21-42(22-7-1)57-60-58(43-23-8-2-9-24-43)62-59(61-57)46-37-38-52(55(41-46)56-40-45-25-16-17-34-51(45)53-35-18-19-36-54(53)56)44-26-20-33-50(39-44)63(47-27-10-3-11-28-47,48-29-12-4-13-30-48)49-31-14-5-15-32-49/h1-41H.
What are the key properties of [3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]phenyl]-triphenylsilane?
[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]phenyl]-triphenylsilane has a molecular weight of 820.08 g/mol, XLogP of 11.89, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenanthren-9-ylphenyl]phenyl]-triphenylsilane is sourced from PubChem (CID 156690632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).