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

C52H39N3OSi — CID 176645273

IUPACtrimethyl-[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
SMILESC[Si](C)(C)c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8cc9ccccc9cc8c7c6)n5)c4)c3)c2)cc1
InChIInChI=1S/C52H39N3OSi/c1-57(2,3)45-25-22-34(23-26-45)36-16-9-17-37(28-36)38-18-10-19-39(29-38)40-20-11-21-43(30-40)51-53-50(35-12-5-4-6-13-35)54-52(55-51)44-24-27-48-46(32-44)47-31-41-14-7-8-15-42(41)33-49(47)56-48/h4-33H,1-3H3
InChIKeyKUBJEKCBFSJCBH-UHFFFAOYSA-N
MW749.99 g/mol
LogP13.47
Rot. Bonds7

About 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

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 (PubChem CID 176645273) has the molecular formula C52H39N3OSi and a molecular weight of 749.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametrimethyl-[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
PubChem CID176645273
Molecular FormulaC52H39N3OSi
Molecular Weight749.99 g/mol
Exact Mass749.29
IUPAC Nametrimethyl-[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
SMILESC[Si](C)(C)c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8cc9ccccc9cc8c7c6)n5)c4)c3)c2)cc1
InChIInChI=1S/C52H39N3OSi/c1-57(2,3)45-25-22-34(23-26-45)36-16-9-17-37(28-36)38-18-10-19-39(29-38)40-20-11-21-43(30-40)51-53-50(35-12-5-4-6-13-35)54-52(55-51)44-24-27-48-46(32-44)47-31-41-14-7-8-15-42(41)33-49(47)56-48/h4-33H,1-3H3
InChIKeyKUBJEKCBFSJCBH-UHFFFAOYSA-N
XLogP13.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.99
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163505660
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-phenyl-4-(8-phenyldibenzofuran-3-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155773119
2-phenyl-4-[8-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171597223
2-phenyl-4-(4-phenylphenyl)-6-[3-[7-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 155773210
2-phenyl-4-(7-phenyldibenzofuran-2-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 139549251
2-phenyl-4-[3-(8-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 155773208
2,4-diphenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 171414951
[4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane
CID 176645669
[4-[4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056465
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si](C)(C)c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8cc9ccccc9cc8c7c6)n5)c4)c3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is KUBJEKCBFSJCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N3OSi/c1-57(2,3)45-25-22-34(23-26-45)36-16-9-17-37(28-36)38-18-10-19-39(29-38)40-20-11-21-43(30-40)51-53-50(35-12-5-4-6-13-35)54-52(55-51)44-24-27-48-46(32-44)47-31-41-14-7-8-15-42(41)33-49(47)56-48/h4-33H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 749.99 g/mol, XLogP of 13.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176645273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).