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

C26H22ClN3OSi — CID 177087946

IUPAC[3-[4-[4-(1-benzofuran-2-yl)phenyl]-6-chloro-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1cccc(-c2nc(Cl)nc(-c3ccc(-c4cc5ccccc5o4)cc3)n2)c1
InChIInChI=1S/C26H22ClN3OSi/c1-32(2,3)21-9-6-8-20(15-21)25-28-24(29-26(27)30-25)18-13-11-17(12-14-18)23-16-19-7-4-5-10-22(19)31-23/h4-16H,1-3H3
InChIKeyRLQRIAKXDRVIAN-UHFFFAOYSA-N
MW456.02 g/mol
LogP6.82
Rot. Bonds4

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

[3-[4-[4-(1-benzofuran-2-yl)phenyl]-6-chloro-1,3,5-triazin-2-yl]phenyl]-trimethylsilane (PubChem CID 177087946) has the molecular formula C26H22ClN3OSi and a molecular weight of 456.02 g/mol. Its IUPAC name is [3-[4-[4-(1-benzofuran-2-yl)phenyl]-6-chloro-1,3,5-triazin-2-yl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[3-[4-[4-(1-benzofuran-2-yl)phenyl]-6-chloro-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
PubChem CID177087946
Molecular FormulaC26H22ClN3OSi
Molecular Weight456.02 g/mol
Exact Mass455.12
IUPAC Name[3-[4-[4-(1-benzofuran-2-yl)phenyl]-6-chloro-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1cccc(-c2nc(Cl)nc(-c3ccc(-c4cc5ccccc5o4)cc3)n2)c1
InChIInChI=1S/C26H22ClN3OSi/c1-32(2,3)21-9-6-8-20(15-21)25-28-24(29-26(27)30-25)18-13-11-17(12-14-18)23-16-19-7-4-5-10-22(19)31-23/h4-16H,1-3H3
InChIKeyRLQRIAKXDRVIAN-UHFFFAOYSA-N
XLogP6.82
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.02
LogP ≤ 56.82
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

[4-[3-[3-[3-[4,6-bis(1-benzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
CID 176645246
2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine
CID 176645637
2-[4-(1-benzofuran-2-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146183190
2-[4-(1-benzofuran-2-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165150985
2-[3-(1-benzofuran-2-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165151081
[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
[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]-triphenylsilane
CID 161136668
[3-[3-[4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-trimethylsilane
CID 176645314
2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane
CID 142555495
2-(1-benzofuran-2-yl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 146183565
2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146183187
2-[3-(4-chlorophenyl)phenyl]-1-benzofuran
CID 170402405

Frequently Asked Questions

What is the IUPAC name of [3-[4-[4-(1-benzofuran-2-yl)phenyl]-6-chloro-1,3,5-triazin-2-yl]phenyl]-trimethylsilane?
The IUPAC name of [3-[4-[4-(1-benzofuran-2-yl)phenyl]-6-chloro-1,3,5-triazin-2-yl]phenyl]-trimethylsilane (CID 177087946) is [3-[4-[4-(1-benzofuran-2-yl)phenyl]-6-chloro-1,3,5-triazin-2-yl]phenyl]-trimethylsilane.
What is the SMILES notation for [3-[4-[4-(1-benzofuran-2-yl)phenyl]-6-chloro-1,3,5-triazin-2-yl]phenyl]-trimethylsilane?
The canonical SMILES for [3-[4-[4-(1-benzofuran-2-yl)phenyl]-6-chloro-1,3,5-triazin-2-yl]phenyl]-trimethylsilane is C[Si](C)(C)c1cccc(-c2nc(Cl)nc(-c3ccc(-c4cc5ccccc5o4)cc3)n2)c1.
What is the InChIKey of [3-[4-[4-(1-benzofuran-2-yl)phenyl]-6-chloro-1,3,5-triazin-2-yl]phenyl]-trimethylsilane?
The InChIKey is RLQRIAKXDRVIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3OSi/c1-32(2,3)21-9-6-8-20(15-21)25-28-24(29-26(27)30-25)18-13-11-17(12-14-18)23-16-19-7-4-5-10-22(19)31-23/h4-16H,1-3H3.
What are the key properties of [3-[4-[4-(1-benzofuran-2-yl)phenyl]-6-chloro-1,3,5-triazin-2-yl]phenyl]-trimethylsilane?
[3-[4-[4-(1-benzofuran-2-yl)phenyl]-6-chloro-1,3,5-triazin-2-yl]phenyl]-trimethylsilane has a molecular weight of 456.02 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[4-(1-benzofuran-2-yl)phenyl]-6-chloro-1,3,5-triazin-2-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 177087946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).