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

C48H37N3OSi — CID 176645544

IUPAC[4-[3-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c4)c3)c2)cc1
InChIInChI=1S/C48H37N3OSi/c1-53(2,3)40-27-25-32(26-28-40)34-15-9-16-35(29-34)36-17-10-18-37(30-36)38-19-11-20-39(31-38)47-49-46(33-13-5-4-6-14-33)50-48(51-47)42-22-12-24-44-45(42)41-21-7-8-23-43(41)52-44/h4-31H,1-3H3
InChIKeyPRJCMNHVQBRTCR-UHFFFAOYSA-N
MW699.93 g/mol
LogP12.32
Rot. Bonds7

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

[4-[3-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane (PubChem CID 176645544) has the molecular formula C48H37N3OSi and a molecular weight of 699.93 g/mol. Its IUPAC name is [4-[3-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[3-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane
PubChem CID176645544
Molecular FormulaC48H37N3OSi
Molecular Weight699.93 g/mol
Exact Mass699.27
IUPAC Name[4-[3-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c4)c3)c2)cc1
InChIInChI=1S/C48H37N3OSi/c1-53(2,3)40-27-25-32(26-28-40)34-15-9-16-35(29-34)36-17-10-18-37(30-36)38-19-11-20-39(31-38)47-49-46(33-13-5-4-6-14-33)50-48(51-47)42-22-12-24-44-45(42)41-21-7-8-23-43(41)52-44/h4-31H,1-3H3
InChIKeyPRJCMNHVQBRTCR-UHFFFAOYSA-N
XLogP12.32
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.93
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-dibenzofuran-1-yl-4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163687766
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163779888
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-dibenzofuran-1-yl-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 162504507
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane
CID 164797867
[4-[4-dibenzofuran-3-yl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
CID 176645393

Frequently Asked Questions

What is the IUPAC name of [4-[3-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[3-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane (CID 176645544) is [4-[3-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[3-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[3-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7oc8ccccc8c67)n5)c4)c3)c2)cc1.
What is the InChIKey of [4-[3-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane?
The InChIKey is PRJCMNHVQBRTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37N3OSi/c1-53(2,3)40-27-25-32(26-28-40)34-15-9-16-35(29-34)36-17-10-18-37(30-36)38-19-11-20-39(31-38)47-49-46(33-13-5-4-6-14-33)50-48(51-47)42-22-12-24-44-45(42)41-21-7-8-23-43(41)52-44/h4-31H,1-3H3.
What are the key properties of [4-[3-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane?
[4-[3-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane has a molecular weight of 699.93 g/mol, XLogP of 12.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 176645544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).