10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenylbenzimidazolo[1,2-a][1,3]benzazasilole

C40H27N5Si — CID 171450028

IUPAC10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenylbenzimidazolo[1,2-a][1,3]benzazasilole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-n3c(nc5ccccc53)[Si]4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C40H27N5Si/c1-5-16-28(17-6-1)37-42-38(29-18-7-2-8-19-29)44-39(43-37)32-24-15-27-35-36(32)45-34-26-14-13-25-33(34)41-40(45)46(35,30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-27H
InChIKeyLAYGSPQCAUCBIA-UHFFFAOYSA-N
MW605.78 g/mol
LogP5.90
Rot. Bonds5

About 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenylbenzimidazolo[1,2-a][1,3]benzazasilole

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenylbenzimidazolo[1,2-a][1,3]benzazasilole (PubChem CID 171450028) has the molecular formula C40H27N5Si and a molecular weight of 605.78 g/mol. Its IUPAC name is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenylbenzimidazolo[1,2-a][1,3]benzazasilole.

Molecular Properties

Compound Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenylbenzimidazolo[1,2-a][1,3]benzazasilole
PubChem CID171450028
Molecular FormulaC40H27N5Si
Molecular Weight605.78 g/mol
Exact Mass605.20
IUPAC Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenylbenzimidazolo[1,2-a][1,3]benzazasilole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-n3c(nc5ccccc53)[Si]4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C40H27N5Si/c1-5-16-28(17-6-1)37-42-38(29-18-7-2-8-19-29)44-39(43-37)32-24-15-27-35-36(32)45-34-26-14-13-25-33(34)41-40(45)46(35,30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-27H
InChIKeyLAYGSPQCAUCBIA-UHFFFAOYSA-N
XLogP5.90
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.78
LogP ≤ 55.90
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

5-[2-[4-[2-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)-3-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 155622047
2-[4-(1,3-benzothiazol-2-yl)-6-[3-(6-phenylbenzimidazolo[1,2-a][1,3]benzazasilol-6-yl)phenyl]-1,3,5-triazin-2-yl]-1,3-benzothiazole
CID 171449997
6,6-bis[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]benzimidazolo[1,2-a][1,3]benzazasilole
CID 171449978
18-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-13,13-diphenyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 177074516
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenyl-[1]benzosilolo[3,2-b]indole
CID 90296203
2-phenyl-4,6-bis[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-1,3,5-triazine
CID 176643494
2-(5,5-diphenylbenzo[b][1]benzosilol-4-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155787192
1-[4,5-bis(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole
CID 159989669
9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121401452
2-[11,11-diphenyl-4-(1-phenylbenzimidazol-2-yl)benzo[b][1]benzosilepin-7-yl]-1-phenylbenzimidazole
CID 155647150
9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 176837753
5-[2-[4-[2-(5,5-diphenyl-10H-benzo[b][1]benzosilin-10-yl)-3-phenylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 171444330

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenylbenzimidazolo[1,2-a][1,3]benzazasilole?
The IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenylbenzimidazolo[1,2-a][1,3]benzazasilole (CID 171450028) is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenylbenzimidazolo[1,2-a][1,3]benzazasilole.
What is the SMILES notation for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenylbenzimidazolo[1,2-a][1,3]benzazasilole?
The canonical SMILES for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenylbenzimidazolo[1,2-a][1,3]benzazasilole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-n3c(nc5ccccc53)[Si]4(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenylbenzimidazolo[1,2-a][1,3]benzazasilole?
The InChIKey is LAYGSPQCAUCBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N5Si/c1-5-16-28(17-6-1)37-42-38(29-18-7-2-8-19-29)44-39(43-37)32-24-15-27-35-36(32)45-34-26-14-13-25-33(34)41-40(45)46(35,30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-27H.
What are the key properties of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenylbenzimidazolo[1,2-a][1,3]benzazasilole?
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenylbenzimidazolo[1,2-a][1,3]benzazasilole has a molecular weight of 605.78 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenylbenzimidazolo[1,2-a][1,3]benzazasilole is sourced from PubChem (CID 171450028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).