[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-trimethylsilylphenyl)phenyl]phenyl]-trimethylsilane

C39H39N3Si2 — CID 176645249

IUPAC[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-trimethylsilylphenyl)phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2cc(-c3ccc([Si](C)(C)C)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C39H39N3Si2/c1-43(2,3)35-21-17-28(18-22-35)32-25-33(29-19-23-36(24-20-29)44(4,5)6)27-34(26-32)39-41-37(30-13-9-7-10-14-30)40-38(42-39)31-15-11-8-12-16-31/h7-27H,1-6H3
InChIKeyVSDWWWKFBFTFCX-UHFFFAOYSA-N
MW605.93 g/mol
LogP9.30
Rot. Bonds7

About [4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-trimethylsilylphenyl)phenyl]phenyl]-trimethylsilane

[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-trimethylsilylphenyl)phenyl]phenyl]-trimethylsilane (PubChem CID 176645249) has the molecular formula C39H39N3Si2 and a molecular weight of 605.93 g/mol. Its IUPAC name is [4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-trimethylsilylphenyl)phenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-trimethylsilylphenyl)phenyl]phenyl]-trimethylsilane
PubChem CID176645249
Molecular FormulaC39H39N3Si2
Molecular Weight605.93 g/mol
Exact Mass605.27
IUPAC Name[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-trimethylsilylphenyl)phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2cc(-c3ccc([Si](C)(C)C)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C39H39N3Si2/c1-43(2,3)35-21-17-28(18-22-35)32-25-33(29-19-23-36(24-20-29)44(4,5)6)27-34(26-32)39-41-37(30-13-9-7-10-14-30)40-38(42-39)31-15-11-8-12-16-31/h7-27H,1-6H3
InChIKeyVSDWWWKFBFTFCX-UHFFFAOYSA-N
XLogP9.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.93
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane
CID 176645669
trimethyl-[4-[4-(4-phenylphenyl)-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 176645442
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296
trimethyl-[4-[3-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]silane
CID 176645210
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4,6-tris[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 162144884
2,4-diphenyl-6-[3-phenyl-5-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 126704955
trimethyl-[4-[4-(4-trimethylsilylphenyl)-6-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 176645481
[4-[4-dibenzofuran-3-yl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
CID 176645393
2-(3,5-diphenylphenyl)-4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 160680702
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 166571456
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606668

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-trimethylsilylphenyl)phenyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-trimethylsilylphenyl)phenyl]phenyl]-trimethylsilane (CID 176645249) is [4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-trimethylsilylphenyl)phenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-trimethylsilylphenyl)phenyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-trimethylsilylphenyl)phenyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2cc(-c3ccc([Si](C)(C)C)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of [4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-trimethylsilylphenyl)phenyl]phenyl]-trimethylsilane?
The InChIKey is VSDWWWKFBFTFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H39N3Si2/c1-43(2,3)35-21-17-28(18-22-35)32-25-33(29-19-23-36(24-20-29)44(4,5)6)27-34(26-32)39-41-37(30-13-9-7-10-14-30)40-38(42-39)31-15-11-8-12-16-31/h7-27H,1-6H3.
What are the key properties of [4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-trimethylsilylphenyl)phenyl]phenyl]-trimethylsilane?
[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-trimethylsilylphenyl)phenyl]phenyl]-trimethylsilane has a molecular weight of 605.93 g/mol, XLogP of 9.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-trimethylsilylphenyl)phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 176645249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).