6-[3-[4,6-bis(2-phenylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole

C54H35N9Si — CID 171449993

IUPAC6-[3-[4,6-bis(2-phenylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole
SMILESc1ccc(-c2nc3ccccc3n2-c2nc(-c3cccc([Si]4(c5ccccc5)c5ccccc5-c5nc6ccccc6n54)c3)nc(-n3c(-c4ccccc4)nc4ccccc43)n2)cc1
InChIInChI=1S/C54H35N9Si/c1-4-19-36(20-5-1)50-55-42-28-11-14-31-45(42)61(50)53-58-49(59-54(60-53)62-46-32-15-12-29-43(46)56-51(62)37-21-6-2-7-22-37)38-23-18-26-40(35-38)64(39-24-8-3-9-25-39)48-34-17-10-27-41(48)52-57-44-30-13-16-33-47(44)63(52)64/h1-35H
InChIKeyHOTJZRUHUHRWMJ-UHFFFAOYSA-N
MW838.02 g/mol
LogP9.40
Rot. Bonds7

About 6-[3-[4,6-bis(2-phenylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole

6-[3-[4,6-bis(2-phenylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole (PubChem CID 171449993) has the molecular formula C54H35N9Si and a molecular weight of 838.02 g/mol. Its IUPAC name is 6-[3-[4,6-bis(2-phenylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole.

Molecular Properties

Compound Name6-[3-[4,6-bis(2-phenylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole
PubChem CID171449993
Molecular FormulaC54H35N9Si
Molecular Weight838.02 g/mol
Exact Mass837.28
IUPAC Name6-[3-[4,6-bis(2-phenylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole
SMILESc1ccc(-c2nc3ccccc3n2-c2nc(-c3cccc([Si]4(c5ccccc5)c5ccccc5-c5nc6ccccc6n54)c3)nc(-n3c(-c4ccccc4)nc4ccccc43)n2)cc1
InChIInChI=1S/C54H35N9Si/c1-4-19-36(20-5-1)50-55-42-28-11-14-31-45(42)61(50)53-58-49(59-54(60-53)62-46-32-15-12-29-43(46)56-51(62)37-21-6-2-7-22-37)38-23-18-26-40(35-38)64(39-24-8-3-9-25-39)48-34-17-10-27-41(48)52-57-44-30-13-16-33-47(44)63(52)64/h1-35H
InChIKeyHOTJZRUHUHRWMJ-UHFFFAOYSA-N
XLogP9.40
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.02
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-[3-[4,6-bis(2-phenylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole 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

6-(3-bromophenyl)-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole
CID 171449969
2-[3-[6-[3-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazolo[1,2-b][2,1]benzazasilol-6-yl]phenyl]-1,3-benzoxazole
CID 171449921
2-phenyl-1-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]benzimidazole
CID 118688255
1-[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-triazin-2-yl]-2-phenylbenzimidazole
CID 165151195
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
9-(2,6-dipyridin-2-yl-4-pyridinyl)-6,6-diphenylbenzimidazolo[1,2-b][2,1]benzazasilole
CID 171449999
1-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 171812770
1-[4,5-bis(5,5-diphenylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-2-phenylbenzimidazole
CID 159989669
1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
CID 155179256
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
CID 155173927
2-phenyl-1-[4-(3-phenylphenyl)-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3,5-triazin-2-yl]benzimidazole
CID 171749163
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6-diphenylbenzimidazolo[1,2-a][1,3]benzazasilole
CID 171450028

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4,6-bis(2-phenylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole?
The IUPAC name of 6-[3-[4,6-bis(2-phenylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole (CID 171449993) is 6-[3-[4,6-bis(2-phenylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole.
What is the SMILES notation for 6-[3-[4,6-bis(2-phenylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole?
The canonical SMILES for 6-[3-[4,6-bis(2-phenylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole is c1ccc(-c2nc3ccccc3n2-c2nc(-c3cccc([Si]4(c5ccccc5)c5ccccc5-c5nc6ccccc6n54)c3)nc(-n3c(-c4ccccc4)nc4ccccc43)n2)cc1.
What is the InChIKey of 6-[3-[4,6-bis(2-phenylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole?
The InChIKey is HOTJZRUHUHRWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N9Si/c1-4-19-36(20-5-1)50-55-42-28-11-14-31-45(42)61(50)53-58-49(59-54(60-53)62-46-32-15-12-29-43(46)56-51(62)37-21-6-2-7-22-37)38-23-18-26-40(35-38)64(39-24-8-3-9-25-39)48-34-17-10-27-41(48)52-57-44-30-13-16-33-47(44)63(52)64/h1-35H.
What are the key properties of 6-[3-[4,6-bis(2-phenylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole?
6-[3-[4,6-bis(2-phenylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole has a molecular weight of 838.02 g/mol, XLogP of 9.40, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4,6-bis(2-phenylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]phenyl]-6-phenylbenzimidazolo[1,2-b][2,1]benzazasilole is sourced from PubChem (CID 171449993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).