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

C110H70N12 — CID 155179741

IUPAC5-[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
SMILESc1ccc(-c2ccc3nc4n(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccc(-c9ccc%10nc%11n(-c%12c(-c%13ccccc%13)cc(-c%13nc(-c%14ccccc%14)nc(-c%14ccccc%14)n%13)cc%12-c%12ccccc%12)c%12ccc(-c%13ccccc%13)cc%12n%11c%10c9)cc8)c7)n6)cc5-c5ccccc5)c5ccc(-c6ccccc6)cc5n4c3c2)cc1
InChIInChI=1S/C110H70N12/c1-10-29-71(30-11-1)83-53-58-93-98(67-83)120-100-69-85(72-31-12-2-13-32-72)55-61-96(100)119(109(120)111-93)95-60-57-88(64-90(95)76-35-16-4-17-36-76)107-115-105(81-45-26-9-27-46-81)114-106(118-107)87-48-28-47-82(63-87)74-49-51-75(52-50-74)84-54-59-94-99(68-84)121-101-70-86(73-33-14-3-15-34-73)56-62-97(101)122(110(121)112-94)102-91(77-37-18-5-19-38-77)65-89(66-92(102)78-39-20-6-21-40-78)108-116-103(79-41-22-7-23-42-79)113-104(117-108)80-43-24-8-25-44-80/h1-70H
InChIKeyLONJKCHJXMLDOO-UHFFFAOYSA-N
MW1559.85 g/mol
LogP26.88
Rot. Bonds16

About 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

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 (PubChem CID 155179741) has the molecular formula C110H70N12 and a molecular weight of 1559.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID155179741
Molecular FormulaC110H70N12
Molecular Weight1559.85 g/mol
Exact Mass1558.58
IUPAC Name5-[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
SMILESc1ccc(-c2ccc3nc4n(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccc(-c9ccc%10nc%11n(-c%12c(-c%13ccccc%13)cc(-c%13nc(-c%14ccccc%14)nc(-c%14ccccc%14)n%13)cc%12-c%12ccccc%12)c%12ccc(-c%13ccccc%13)cc%12n%11c%10c9)cc8)c7)n6)cc5-c5ccccc5)c5ccc(-c6ccccc6)cc5n4c3c2)cc1
InChIInChI=1S/C110H70N12/c1-10-29-71(30-11-1)83-53-58-93-98(67-83)120-100-69-85(72-31-12-2-13-32-72)55-61-96(100)119(109(120)111-93)95-60-57-88(64-90(95)76-35-16-4-17-36-76)107-115-105(81-45-26-9-27-46-81)114-106(118-107)87-48-28-47-82(63-87)74-49-51-75(52-50-74)84-54-59-94-99(68-84)121-101-70-86(73-33-14-3-15-34-73)56-62-97(101)122(110(121)112-94)102-91(77-37-18-5-19-38-77)65-89(66-92(102)78-39-20-6-21-40-78)108-116-103(79-41-22-7-23-42-79)113-104(117-108)80-43-24-8-25-44-80/h1-70H
InChIKeyLONJKCHJXMLDOO-UHFFFAOYSA-N
XLogP26.88
TPSA121.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001559.85
LogP ≤ 526.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 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

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
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
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
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
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
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-(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
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
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-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 138463102
5-[4-carbazol-9-yl-3-(2,9-diphenylbenzimidazolo[1,2-a]benzimidazol-5-yl)-2-methyl-6-phenylphenyl]-2,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 167403626

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3nc4n(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccc(-c9ccc%10nc%11n(-c%12c(-c%13ccccc%13)cc(-c%13nc(-c%14ccccc%14)nc(-c%14ccccc%14)n%13)cc%12-c%12ccccc%12)c%12ccc(-c%13ccccc%13)cc%12n%11c%10c9)cc8)c7)n6)cc5-c5ccccc5)c5ccc(-c6ccccc6)cc5n4c3c2)cc1.
What is the InChIKey of 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?
The InChIKey is LONJKCHJXMLDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H70N12/c1-10-29-71(30-11-1)83-53-58-93-98(67-83)120-100-69-85(72-31-12-2-13-32-72)55-61-96(100)119(109(120)111-93)95-60-57-88(64-90(95)76-35-16-4-17-36-76)107-115-105(81-45-26-9-27-46-81)114-106(118-107)87-48-28-47-82(63-87)74-49-51-75(52-50-74)84-54-59-94-99(68-84)121-101-70-86(73-33-14-3-15-34-73)56-62-97(101)122(110(121)112-94)102-91(77-37-18-5-19-38-77)65-89(66-92(102)78-39-20-6-21-40-78)108-116-103(79-41-22-7-23-42-79)113-104(117-108)80-43-24-8-25-44-80/h1-70H.
What are the key properties of 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?
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 has a molecular weight of 1559.85 g/mol, XLogP of 26.88, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155179741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).