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

C46H35N3O2Si — CID 176645246

IUPAC[4-[3-[3-[3-[4,6-bis(1-benzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6cc7ccccc7o6)nc(-c6cc7ccccc7o6)n5)c4)c3)c2)cc1
InChIInChI=1S/C46H35N3O2Si/c1-52(2,3)39-23-21-30(22-24-39)31-13-8-14-32(25-31)33-15-9-16-34(26-33)35-17-10-18-38(27-35)44-47-45(42-28-36-11-4-6-19-40(36)50-42)49-46(48-44)43-29-37-12-5-7-20-41(37)51-43/h4-29H,1-3H3
InChIKeyFNFQWGXFVZWZJT-UHFFFAOYSA-N
MW689.89 g/mol
LogP11.91
Rot. Bonds7

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

[4-[3-[3-[3-[4,6-bis(1-benzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane (PubChem CID 176645246) has the molecular formula C46H35N3O2Si and a molecular weight of 689.89 g/mol. Its IUPAC name is [4-[3-[3-[3-[4,6-bis(1-benzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[3-[3-[3-[4,6-bis(1-benzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
PubChem CID176645246
Molecular FormulaC46H35N3O2Si
Molecular Weight689.89 g/mol
Exact Mass689.25
IUPAC Name[4-[3-[3-[3-[4,6-bis(1-benzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6cc7ccccc7o6)nc(-c6cc7ccccc7o6)n5)c4)c3)c2)cc1
InChIInChI=1S/C46H35N3O2Si/c1-52(2,3)39-23-21-30(22-24-39)31-13-8-14-32(25-31)33-15-9-16-34(26-33)35-17-10-18-38(27-35)44-47-45(42-28-36-11-4-6-19-40(36)50-42)49-46(48-44)43-29-37-12-5-7-20-41(37)51-43/h4-29H,1-3H3
InChIKeyFNFQWGXFVZWZJT-UHFFFAOYSA-N
XLogP11.91
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.89
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-benzofuran-2-yl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 146183565
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
[4-[7-[3-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-3-yl]phenyl]-trimethylsilane
CID 177088254
[4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane
CID 176645669
[4-[4-dibenzofuran-3-yl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
CID 176645393
[3-[4-[4-(1-benzofuran-2-yl)phenyl]-6-chloro-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
CID 177087946
2-(1-benzofuran-2-yl)-4-[4-[11-[4-[4-(1-benzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 165151283
2-(1-benzofuran-2-yl)-4-(3-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 146183589
trimethyl-[4-[3-[3-[3-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]silane
CID 176645273
[4-[3-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane
CID 176645544
trimethyl-[4-[4-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]-6-[4-(4-trimethylsilylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]silane
CID 176645429
trimethyl-[4-[3-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]silane
CID 176645210

Frequently Asked Questions

What is the IUPAC name of [4-[3-[3-[3-[4,6-bis(1-benzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[3-[3-[3-[4,6-bis(1-benzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane (CID 176645246) is [4-[3-[3-[3-[4,6-bis(1-benzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[3-[3-[3-[4,6-bis(1-benzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[3-[3-[3-[4,6-bis(1-benzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6cc7ccccc7o6)nc(-c6cc7ccccc7o6)n5)c4)c3)c2)cc1.
What is the InChIKey of [4-[3-[3-[3-[4,6-bis(1-benzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane?
The InChIKey is FNFQWGXFVZWZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N3O2Si/c1-52(2,3)39-23-21-30(22-24-39)31-13-8-14-32(25-31)33-15-9-16-34(26-33)35-17-10-18-38(27-35)44-47-45(42-28-36-11-4-6-19-40(36)50-42)49-46(48-44)43-29-37-12-5-7-20-41(37)51-43/h4-29H,1-3H3.
What are the key properties of [4-[3-[3-[3-[4,6-bis(1-benzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane?
[4-[3-[3-[3-[4,6-bis(1-benzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane has a molecular weight of 689.89 g/mol, XLogP of 11.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[3-[3-[4,6-bis(1-benzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane is sourced from PubChem (CID 176645246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).