5-(2,6-diphenylphenyl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole

C64H42N6 — CID 154624097

IUPAC5-(2,6-diphenylphenyl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2ccc3nc4n(-c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6-c6ccccc6)cc5n4c3c2)cc1
InChIInChI=1S/C64H42N6/c1-7-20-43(21-8-1)49-35-38-56-58(41-49)69-59-42-50(36-39-57(59)70(64(69)65-56)60-53(44-22-9-2-10-23-44)32-19-33-54(60)45-24-11-3-12-25-45)52-37-34-51(40-55(52)46-26-13-4-14-27-46)63-67-61(47-28-15-5-16-29-47)66-62(68-63)48-30-17-6-18-31-48/h1-42H
InChIKeyZHKMARFBXZEJSW-UHFFFAOYSA-N
MW895.08 g/mol
LogP15.95
Rot. Bonds9

About 5-(2,6-diphenylphenyl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole

5-(2,6-diphenylphenyl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 154624097) has the molecular formula C64H42N6 and a molecular weight of 895.08 g/mol. Its IUPAC name is 5-(2,6-diphenylphenyl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-(2,6-diphenylphenyl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole
PubChem CID154624097
Molecular FormulaC64H42N6
Molecular Weight895.08 g/mol
Exact Mass894.35
IUPAC Name5-(2,6-diphenylphenyl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2ccc3nc4n(-c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6-c6ccccc6)cc5n4c3c2)cc1
InChIInChI=1S/C64H42N6/c1-7-20-43(21-8-1)49-35-38-56-58(41-49)69-59-42-50(36-39-57(59)70(64(69)65-56)60-53(44-22-9-2-10-23-44)32-19-33-54(60)45-24-11-3-12-25-45)52-37-34-51(40-55(52)46-26-13-4-14-27-46)63-67-61(47-28-15-5-16-29-47)66-62(68-63)48-30-17-6-18-31-48/h1-42H
InChIKeyZHKMARFBXZEJSW-UHFFFAOYSA-N
XLogP15.95
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.08
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 154624109
6-(2,6-diphenylphenyl)-2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylphenyl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylphenyl)-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-phenylphenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole
CID 157393452
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 157340639
5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-2,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 167399216
5-(2,6-diphenylphenyl)-2-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylphenyl)-2-[4-(2,6-diphenylpyrimidin-4-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 162155487
5-[4-[4-[3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 155179741
5-(2,6-diphenylphenyl)-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole;6-(2,6-diphenylphenyl)-2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylphenyl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole
CID 157094075
5-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-2,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 154624084
5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-2,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 167399623
2-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-9-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 154624114
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 138463102
2-[3-[3-(2,4-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171440358

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-diphenylphenyl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-(2,6-diphenylphenyl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole (CID 154624097) is 5-(2,6-diphenylphenyl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-(2,6-diphenylphenyl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-(2,6-diphenylphenyl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole is c1ccc(-c2ccc3nc4n(-c5c(-c6ccccc6)cccc5-c5ccccc5)c5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6-c6ccccc6)cc5n4c3c2)cc1.
What is the InChIKey of 5-(2,6-diphenylphenyl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole?
The InChIKey is ZHKMARFBXZEJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N6/c1-7-20-43(21-8-1)49-35-38-56-58(41-49)69-59-42-50(36-39-57(59)70(64(69)65-56)60-53(44-22-9-2-10-23-44)32-19-33-54(60)45-24-11-3-12-25-45)52-37-34-51(40-55(52)46-26-13-4-14-27-46)63-67-61(47-28-15-5-16-29-47)66-62(68-63)48-30-17-6-18-31-48/h1-42H.
What are the key properties of 5-(2,6-diphenylphenyl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole?
5-(2,6-diphenylphenyl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 895.08 g/mol, XLogP of 15.95, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-diphenylphenyl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 154624097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).