[5-[3-[4-[3-(6-tert-butyl-3-pyridinyl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]-trimethylsilane

C43H40N6Si — CID 174104815

IUPAC[5-[3-[4-[3-(6-tert-butyl-3-pyridinyl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]-trimethylsilane
SMILESCC(C)(C)c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccnc5)c4)nc(-c4cccc(-c5ccc([Si](C)(C)C)nc5)c4)n3)c2)cn1
InChIInChI=1S/C43H40N6Si/c1-43(2,3)38-20-18-36(27-45-38)30-12-8-15-33(24-30)41-47-40(32-14-7-11-29(23-32)35-17-10-22-44-26-35)48-42(49-41)34-16-9-13-31(25-34)37-19-21-39(46-28-37)50(4,5)6/h7-28H,1-6H3
InChIKeyGLEDZOQCZXEFLP-UHFFFAOYSA-N
MW668.92 g/mol
LogP9.90
Rot. Bonds7

About [5-[3-[4-[3-(6-tert-butyl-3-pyridinyl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]-trimethylsilane

[5-[3-[4-[3-(6-tert-butyl-3-pyridinyl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]-trimethylsilane (PubChem CID 174104815) has the molecular formula C43H40N6Si and a molecular weight of 668.92 g/mol. Its IUPAC name is [5-[3-[4-[3-(6-tert-butyl-3-pyridinyl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]-trimethylsilane.

Molecular Properties

Compound Name[5-[3-[4-[3-(6-tert-butyl-3-pyridinyl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]-trimethylsilane
PubChem CID174104815
Molecular FormulaC43H40N6Si
Molecular Weight668.92 g/mol
Exact Mass668.31
IUPAC Name[5-[3-[4-[3-(6-tert-butyl-3-pyridinyl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]-trimethylsilane
SMILESCC(C)(C)c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccnc5)c4)nc(-c4cccc(-c5ccc([Si](C)(C)C)nc5)c4)n3)c2)cn1
InChIInChI=1S/C43H40N6Si/c1-43(2,3)38-20-18-36(27-45-38)30-12-8-15-33(24-30)41-47-40(32-14-7-11-29(23-32)35-17-10-22-44-26-35)48-42(49-41)34-16-9-13-31(25-34)37-19-21-39(46-28-37)50(4,5)6/h7-28H,1-6H3
InChIKeyGLEDZOQCZXEFLP-UHFFFAOYSA-N
XLogP9.90
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.92
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-2-pyridinyl]-trimethylsilane
CID 176645518
2-[3-(3,5-ditert-butylphenyl)phenyl]-4-(3-pyridin-3-ylphenyl)-6-(3-pyrimidin-5-ylphenyl)-1,3,5-triazine
CID 164834049
2,4-bis(3-pyridin-3-ylphenyl)-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
CID 153200165
2-tert-butyl-5-(3-tert-butylphenyl)pyridine
CID 90148532
2-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]-4,6-dipyridin-3-yl-1,3,5-triazine
CID 153435459
2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(6-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380773
2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 176586529
2-phenyl-4-(4-phenylphenyl)-6-[3-(5-pyridin-3-yl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 134380944
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 146587202
2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 20709419
2-(3-phenylphenyl)-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-(3-phenylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;2,4,6-tris(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 158115571
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475

Frequently Asked Questions

What is the IUPAC name of [5-[3-[4-[3-(6-tert-butyl-3-pyridinyl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]-trimethylsilane?
The IUPAC name of [5-[3-[4-[3-(6-tert-butyl-3-pyridinyl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]-trimethylsilane (CID 174104815) is [5-[3-[4-[3-(6-tert-butyl-3-pyridinyl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]-trimethylsilane.
What is the SMILES notation for [5-[3-[4-[3-(6-tert-butyl-3-pyridinyl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]-trimethylsilane?
The canonical SMILES for [5-[3-[4-[3-(6-tert-butyl-3-pyridinyl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]-trimethylsilane is CC(C)(C)c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccnc5)c4)nc(-c4cccc(-c5ccc([Si](C)(C)C)nc5)c4)n3)c2)cn1.
What is the InChIKey of [5-[3-[4-[3-(6-tert-butyl-3-pyridinyl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]-trimethylsilane?
The InChIKey is GLEDZOQCZXEFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40N6Si/c1-43(2,3)38-20-18-36(27-45-38)30-12-8-15-33(24-30)41-47-40(32-14-7-11-29(23-32)35-17-10-22-44-26-35)48-42(49-41)34-16-9-13-31(25-34)37-19-21-39(46-28-37)50(4,5)6/h7-28H,1-6H3.
What are the key properties of [5-[3-[4-[3-(6-tert-butyl-3-pyridinyl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]-trimethylsilane?
[5-[3-[4-[3-(6-tert-butyl-3-pyridinyl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]-trimethylsilane has a molecular weight of 668.92 g/mol, XLogP of 9.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[4-[3-(6-tert-butyl-3-pyridinyl)phenyl]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]-trimethylsilane is sourced from PubChem (CID 174104815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).