2-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

C51H34N4OSi — CID 164757371

IUPAC2-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc([Si]6(c7ccccc7)c7ccccc7Oc7ccccc76)cc54)n3)c2)cc1
InChIInChI=1S/C51H34N4OSi/c1-4-17-35(18-5-1)37-21-16-22-38(33-37)50-52-49(36-19-6-2-7-20-36)53-51(54-50)55-43-26-11-10-25-41(43)42-32-31-40(34-44(42)55)57(39-23-8-3-9-24-39)47-29-14-12-27-45(47)56-46-28-13-15-30-48(46)57/h1-34H
InChIKeyZWSILDRBKHRJTA-UHFFFAOYSA-N
MW746.95 g/mol
LogP9.45
Rot. Bonds6

About 2-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole

2-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 164757371) has the molecular formula C51H34N4OSi and a molecular weight of 746.95 g/mol. Its IUPAC name is 2-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name2-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
PubChem CID164757371
Molecular FormulaC51H34N4OSi
Molecular Weight746.95 g/mol
Exact Mass746.25
IUPAC Name2-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc([Si]6(c7ccccc7)c7ccccc7Oc7ccccc76)cc54)n3)c2)cc1
InChIInChI=1S/C51H34N4OSi/c1-4-17-35(18-5-1)37-21-16-22-38(33-37)50-52-49(36-19-6-2-7-20-36)53-51(54-50)55-43-26-11-10-25-41(43)42-32-31-40(34-44(42)55)57(39-23-8-3-9-24-39)47-29-14-12-27-45(47)56-46-28-13-15-30-48(46)57/h1-34H
InChIKeyZWSILDRBKHRJTA-UHFFFAOYSA-N
XLogP9.45
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.95
LogP ≤ 59.45
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

9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(5,10,10-triphenylsilanthren-5-yl)carbazole
CID 164757364
9-[2-[4-[10-(3-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]phenyl]phenyl]carbazole
CID 177291134
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
9-[4-carbazol-9-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742506
9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 176831267
9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(3-triphenylen-2-ylphenyl)carbazole
CID 129197250
5-(4,6-diphenylpyrimidin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-diphenyl-[1,4]benzoxasilino[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-diphenyl-[1,4]benzoxasilino[3,2-c]carbazole
CID 159013285
9-[4-carbazol-9-yl-6-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742666
9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742634
9-[8-[8-(2-carbazol-9-yl-10,10-diphenylbenzo[b][1,4]benzoxasilin-8-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl]carbazole;9-[8-[3-(2-carbazol-9-yl-10,10-diphenylbenzo[b][1,4]benzoxasilin-8-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl]carbazole;2-[8-(10,10-diphenylbenzo[b][1,4]benzoxasilin-2-yl)dibenzofuran-2-yl]-10,10-diphenylbenzo[b][1,4]benzoxasiline
CID 157387555
12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169037027
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169037529

Frequently Asked Questions

What is the IUPAC name of 2-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 2-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 164757371) is 2-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 2-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 2-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc([Si]6(c7ccccc7)c7ccccc7Oc7ccccc76)cc54)n3)c2)cc1.
What is the InChIKey of 2-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is ZWSILDRBKHRJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4OSi/c1-4-17-35(18-5-1)37-21-16-22-38(33-37)50-52-49(36-19-6-2-7-20-36)53-51(54-50)55-43-26-11-10-25-41(43)42-32-31-40(34-44(42)55)57(39-23-8-3-9-24-39)47-29-14-12-27-45(47)56-46-28-13-15-30-48(46)57/h1-34H.
What are the key properties of 2-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
2-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 746.95 g/mol, XLogP of 9.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-phenylbenzo[b][1,4]benzoxasilin-10-yl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 164757371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).