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

C177H117N15 — CID 157393452

IUPAC6-(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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc6n(-c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc7n6c5c4)cc3)n2)cc1.c1ccc(-c2ccc3c(c2)n2c4cc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)ccc4nc2n3-c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)n2c4cc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5-c5ccccc5)ccc4nc2n3-c2c(-c3ccccc3)cccc2-c2ccccc2)cc1
InChIInChI=1S/C65H43N5.C59H39N5.C53H35N5/c1-7-20-44(21-8-1)50-36-39-60-62(41-50)69-61-42-51(35-38-57(61)68-65(69)70(60)63-54(45-22-9-2-10-23-45)32-19-33-55(63)46-24-11-3-12-25-46)53-37-34-52(40-56(53)47-26-13-4-14-27-47)64-66-58(48-28-15-5-16-29-48)43-59(67-64)49-30-17-6-18-31-49;1-6-17-40(18-7-1)48-34-36-54-56(38-48)63-55-37-47(41-29-31-46(32-30-41)58-60-52(44-23-12-4-13-24-44)39-53(61-58)45-25-14-5-15-26-45)33-35-51(55)62-59(63)64(54)57-49(42-19-8-2-9-20-42)27-16-28-50(57)43-21-10-3-11-22-43;1-5-16-37(17-6-1)43-24-15-25-44(38-18-7-2-8-19-38)51(43)58-49-27-14-13-26-48(49)57-50-34-42(32-33-45(50)56-53(57)58)36-28-30-41(31-29-36)52-54-46(39-20-9-3-10-21-39)35-47(55-52)40-22-11-4-12-23-40/h1-43H;1-39H;1-35H
InChIKeyBMHFAPYHDUVUOL-UHFFFAOYSA-N
MW2453.99 g/mol
LogP44.67
Rot. Bonds24

About 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

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 (PubChem CID 157393452) has the molecular formula C177H117N15 and a molecular weight of 2453.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID157393452
Molecular FormulaC177H117N15
Molecular Weight2453.99 g/mol
Exact Mass2451.96
IUPAC Name6-(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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc6n(-c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc7n6c5c4)cc3)n2)cc1.c1ccc(-c2ccc3c(c2)n2c4cc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)ccc4nc2n3-c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)n2c4cc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5-c5ccccc5)ccc4nc2n3-c2c(-c3ccccc3)cccc2-c2ccccc2)cc1
InChIInChI=1S/C65H43N5.C59H39N5.C53H35N5/c1-7-20-44(21-8-1)50-36-39-60-62(41-50)69-61-42-51(35-38-57(61)68-65(69)70(60)63-54(45-22-9-2-10-23-45)32-19-33-55(63)46-24-11-3-12-25-46)53-37-34-52(40-56(53)47-26-13-4-14-27-47)64-66-58(48-28-15-5-16-29-48)43-59(67-64)49-30-17-6-18-31-49;1-6-17-40(18-7-1)48-34-36-54-56(38-48)63-55-37-47(41-29-31-46(32-30-41)58-60-52(44-23-12-4-13-24-44)39-53(61-58)45-25-14-5-15-26-45)33-35-51(55)62-59(63)64(54)57-49(42-19-8-2-9-20-42)27-16-28-50(57)43-21-10-3-11-22-43;1-5-16-37(17-6-1)43-24-15-25-44(38-18-7-2-8-19-38)51(43)58-49-27-14-13-26-48(49)57-50-34-42(32-33-45(50)56-53(57)58)36-28-30-41(31-29-36)52-54-46(39-20-9-3-10-21-39)35-47(55-52)40-22-11-4-12-23-40/h1-43H;1-39H;1-35H
InChIKeyBMHFAPYHDUVUOL-UHFFFAOYSA-N
XLogP44.67
TPSA144.03 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002453.99
LogP ≤ 544.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

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-(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-(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
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-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-2,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 154624084
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-[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-[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-[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-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole
CID 138463116
2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylpyrimidin-4-yl)-2-(2-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 161432773

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5nc6n(-c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc7n6c5c4)cc3)n2)cc1.c1ccc(-c2ccc3c(c2)n2c4cc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)ccc4nc2n3-c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)n2c4cc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5-c5ccccc5)ccc4nc2n3-c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is BMHFAPYHDUVUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N5.C59H39N5.C53H35N5/c1-7-20-44(21-8-1)50-36-39-60-62(41-50)69-61-42-51(35-38-57(61)68-65(69)70(60)63-54(45-22-9-2-10-23-45)32-19-33-55(63)46-24-11-3-12-25-46)53-37-34-52(40-56(53)47-26-13-4-14-27-47)64-66-58(48-28-15-5-16-29-48)43-59(67-64)49-30-17-6-18-31-49;1-6-17-40(18-7-1)48-34-36-54-56(38-48)63-55-37-47(41-29-31-46(32-30-41)58-60-52(44-23-12-4-13-24-44)39-53(61-58)45-25-14-5-15-26-45)33-35-51(55)62-59(63)64(54)57-49(42-19-8-2-9-20-42)27-16-28-50(57)43-21-10-3-11-22-43;1-5-16-37(17-6-1)43-24-15-25-44(38-18-7-2-8-19-38)51(43)58-49-27-14-13-26-48(49)57-50-34-42(32-33-45(50)56-53(57)58)36-28-30-41(31-29-36)52-54-46(39-20-9-3-10-21-39)35-47(55-52)40-22-11-4-12-23-40/h1-43H;1-39H;1-35H.
What are the key properties of 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?
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 has a molecular weight of 2453.99 g/mol, XLogP of 44.67, 24 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157393452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).