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

C183H121N15 — CID 157094075

IUPAC5-(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
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5nc6n(-c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc7n6c5c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)n2c4cc(-c5c(-c6ccccc6)cc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5-c5ccccc5)ccc4nc2n3-c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)n2c4cc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc4nc2n3-c2c(-c3ccccc3)cccc2-c2ccccc2)cc1
InChIInChI=1S/C71H47N5.C59H39N5.C53H35N5/c1-8-23-48(24-9-1)55-40-42-65-67(45-55)75-66-46-56(39-41-62(66)74-71(75)76(65)69-58(49-25-10-2-11-26-49)37-22-38-59(69)50-27-12-3-13-28-50)68-60(51-29-14-4-15-30-51)43-57(44-61(68)52-31-16-5-17-32-52)70-72-63(53-33-18-6-19-34-53)47-64(73-70)54-35-20-7-21-36-54;1-6-17-40(18-7-1)48-34-36-54-56(38-48)63-55-37-47(41-29-31-45(32-30-41)53-39-52(44-23-12-4-13-24-44)60-58(61-53)46-25-14-5-15-26-46)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)36-28-30-40(31-29-36)47-35-46(39-20-9-3-10-21-39)54-52(55-47)41-22-11-4-12-23-41/h1-47H;1-39H;1-35H
InChIKeyAEZRFUJKZMQFII-UHFFFAOYSA-N
MW2530.09 g/mol
LogP46.34
Rot. Bonds25

About 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

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 (PubChem CID 157094075) has the molecular formula C183H121N15 and a molecular weight of 2530.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID157094075
Molecular FormulaC183H121N15
Molecular Weight2530.09 g/mol
Exact Mass2527.99
IUPAC Name5-(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
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5nc6n(-c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc7n6c5c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)n2c4cc(-c5c(-c6ccccc6)cc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5-c5ccccc5)ccc4nc2n3-c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)n2c4cc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc4nc2n3-c2c(-c3ccccc3)cccc2-c2ccccc2)cc1
InChIInChI=1S/C71H47N5.C59H39N5.C53H35N5/c1-8-23-48(24-9-1)55-40-42-65-67(45-55)75-66-46-56(39-41-62(66)74-71(75)76(65)69-58(49-25-10-2-11-26-49)37-22-38-59(69)50-27-12-3-13-28-50)68-60(51-29-14-4-15-30-51)43-57(44-61(68)52-31-16-5-17-32-52)70-72-63(53-33-18-6-19-34-53)47-64(73-70)54-35-20-7-21-36-54;1-6-17-40(18-7-1)48-34-36-54-56(38-48)63-55-37-47(41-29-31-45(32-30-41)53-39-52(44-23-12-4-13-24-44)60-58(61-53)46-25-14-5-15-26-46)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)36-28-30-40(31-29-36)47-35-46(39-20-9-3-10-21-39)54-52(55-47)41-22-11-4-12-23-41/h1-47H;1-39H;1-35H
InChIKeyAEZRFUJKZMQFII-UHFFFAOYSA-N
XLogP46.34
TPSA144.03 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002530.09
LogP ≤ 546.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

2-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-9-phenyl-5-(2,4,6-triphenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 154624114
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-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-2,9-diphenylbenzimidazolo[1,2-a]benzimidazole
CID 154624084
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)-2,6-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-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-9-phenylbenzimidazolo[1,2-a]benzimidazole
CID 154624097
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
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-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
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 138463102

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccc(-c4ccc5nc6n(-c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc7n6c5c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)n2c4cc(-c5c(-c6ccccc6)cc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5-c5ccccc5)ccc4nc2n3-c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)n2c4cc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc4nc2n3-c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is AEZRFUJKZMQFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47N5.C59H39N5.C53H35N5/c1-8-23-48(24-9-1)55-40-42-65-67(45-55)75-66-46-56(39-41-62(66)74-71(75)76(65)69-58(49-25-10-2-11-26-49)37-22-38-59(69)50-27-12-3-13-28-50)68-60(51-29-14-4-15-30-51)43-57(44-61(68)52-31-16-5-17-32-52)70-72-63(53-33-18-6-19-34-53)47-64(73-70)54-35-20-7-21-36-54;1-6-17-40(18-7-1)48-34-36-54-56(38-48)63-55-37-47(41-29-31-45(32-30-41)53-39-52(44-23-12-4-13-24-44)60-58(61-53)46-25-14-5-15-26-46)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)36-28-30-40(31-29-36)47-35-46(39-20-9-3-10-21-39)54-52(55-47)41-22-11-4-12-23-41/h1-47H;1-39H;1-35H.
What are the key properties of 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?
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 has a molecular weight of 2530.09 g/mol, XLogP of 46.34, 25 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157094075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).