2-(5,5-dimethyl-8-phenylbenzo[b][1]benzosilol-2-yl)-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine

C47H33N3OSi — CID 156661349

IUPAC2-(5,5-dimethyl-8-phenylbenzo[b][1]benzosilol-2-yl)-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine
SMILESC[Si]1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccc(-c7ccccc7)cc6c5c4)n3)ccc21
InChIInChI=1S/C47H33N3OSi/c1-52(2)43-24-20-34(31-14-8-4-9-15-31)27-39(43)40-29-36(21-25-44(40)52)47-49-45(32-16-10-5-11-17-32)48-46(50-47)35-19-23-42-38(28-35)37-26-33(18-22-41(37)51-42)30-12-6-3-7-13-30/h3-29H,1-2H3
InChIKeyBEHIMIRBBOKRLY-UHFFFAOYSA-N
MW683.89 g/mol
LogP10.91
Rot. Bonds5

About 2-(5,5-dimethyl-8-phenylbenzo[b][1]benzosilol-2-yl)-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine

2-(5,5-dimethyl-8-phenylbenzo[b][1]benzosilol-2-yl)-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine (PubChem CID 156661349) has the molecular formula C47H33N3OSi and a molecular weight of 683.89 g/mol. Its IUPAC name is 2-(5,5-dimethyl-8-phenylbenzo[b][1]benzosilol-2-yl)-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(5,5-dimethyl-8-phenylbenzo[b][1]benzosilol-2-yl)-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine
PubChem CID156661349
Molecular FormulaC47H33N3OSi
Molecular Weight683.89 g/mol
Exact Mass683.24
IUPAC Name2-(5,5-dimethyl-8-phenylbenzo[b][1]benzosilol-2-yl)-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine
SMILESC[Si]1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccc(-c7ccccc7)cc6c5c4)n3)ccc21
InChIInChI=1S/C47H33N3OSi/c1-52(2)43-24-20-34(31-14-8-4-9-15-31)27-39(43)40-29-36(21-25-44(40)52)47-49-45(32-16-10-5-11-17-32)48-46(50-47)35-19-23-42-38(28-35)37-26-33(18-22-41(37)51-42)30-12-6-3-7-13-30/h3-29H,1-2H3
InChIKeyBEHIMIRBBOKRLY-UHFFFAOYSA-N
XLogP10.91
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.89
LogP ≤ 510.91
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-[4-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155787156
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155787296
2-(5,5-dimethyl-3-phenylbenzo[b][1]benzosilol-8-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155787127
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504
2-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
2-[4-fluoro-3-(8-phenyldibenzofuran-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142577059
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-[4-[8-(4-isocyanophenyl)dibenzofuran-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 153433567
2-(4-methylphenyl)-4-[4-[8-[4-[4-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 130440010

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-8-phenylbenzo[b][1]benzosilol-2-yl)-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine?
The IUPAC name of 2-(5,5-dimethyl-8-phenylbenzo[b][1]benzosilol-2-yl)-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine (CID 156661349) is 2-(5,5-dimethyl-8-phenylbenzo[b][1]benzosilol-2-yl)-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(5,5-dimethyl-8-phenylbenzo[b][1]benzosilol-2-yl)-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-(5,5-dimethyl-8-phenylbenzo[b][1]benzosilol-2-yl)-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine is C[Si]1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccc(-c7ccccc7)cc6c5c4)n3)ccc21.
What is the InChIKey of 2-(5,5-dimethyl-8-phenylbenzo[b][1]benzosilol-2-yl)-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine?
The InChIKey is BEHIMIRBBOKRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3OSi/c1-52(2)43-24-20-34(31-14-8-4-9-15-31)27-39(43)40-29-36(21-25-44(40)52)47-49-45(32-16-10-5-11-17-32)48-46(50-47)35-19-23-42-38(28-35)37-26-33(18-22-41(37)51-42)30-12-6-3-7-13-30/h3-29H,1-2H3.
What are the key properties of 2-(5,5-dimethyl-8-phenylbenzo[b][1]benzosilol-2-yl)-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine?
2-(5,5-dimethyl-8-phenylbenzo[b][1]benzosilol-2-yl)-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine has a molecular weight of 683.89 g/mol, XLogP of 10.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-8-phenylbenzo[b][1]benzosilol-2-yl)-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine is sourced from PubChem (CID 156661349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).