1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole

C168H111N18+3 — CID 159153433

IUPAC1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole
SMILESc1ccc(-[n+]2c(-c3ccc(-c4nc5ccccc5n4-c4ccc(-c5nc(-c6cc7ccccc7c7ccccc67)cc(-c6cc7ccccc7c7ccccc67)n5)cc4)cc3)[nH]c3ccccc32)cc1.c1ccc(-[n+]2c(-c3ccc(-c4nc5ccccc5n4-c4ccc(-c5nc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)n5)cc4)cc3)[nH]c3ccccc32)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c(-c5ccc(-c6[nH]c7ccccc7[n+]6-c6ccccc6)cc5)nc5ccccc54)cc3)n2)cc1
InChIInChI=1S/C64H40N6.C56H36N6.C48H32N6/c1-2-18-46(19-3-1)69-60-28-14-12-26-56(60)67-63(69)42-30-32-43(33-31-42)64-68-57-27-13-15-29-61(57)70(64)47-36-34-41(35-37-47)62-65-58(54-38-44-16-4-6-20-48(44)50-22-8-10-24-52(50)54)40-59(66-62)55-39-45-17-5-7-21-49(45)51-23-9-11-25-53(51)55;1-2-16-46(17-3-1)61-52-20-10-8-18-48(52)59-55(61)40-24-26-41(27-25-40)56-60-49-19-9-11-21-53(49)62(56)47-32-30-39(31-33-47)54-57-50(44-28-22-37-12-4-6-14-42(37)34-44)36-51(58-54)45-29-23-38-13-5-7-15-43(38)35-45;1-4-14-33(15-5-1)42-32-43(34-16-6-2-7-17-34)50-46(49-42)35-28-30-39(31-29-35)54-45-23-13-11-21-41(45)52-48(54)37-26-24-36(25-27-37)47-51-40-20-10-12-22-44(40)53(47)38-18-8-3-9-19-38/h1-40H;1-36H;1-32H/p+3
InChIKeyQXZGUFOZFHATTG-UHFFFAOYSA-Q
MW2381.86 g/mol
LogP39.64
Rot. Bonds21

About 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole

1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole (PubChem CID 159153433) has the molecular formula C168H111N18+3 and a molecular weight of 2381.86 g/mol. Its IUPAC name is 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole
PubChem CID159153433
Molecular FormulaC168H111N18+3
Molecular Weight2381.86 g/mol
Exact Mass2379.92
IUPAC Name1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole
SMILESc1ccc(-[n+]2c(-c3ccc(-c4nc5ccccc5n4-c4ccc(-c5nc(-c6cc7ccccc7c7ccccc67)cc(-c6cc7ccccc7c7ccccc67)n5)cc4)cc3)[nH]c3ccccc32)cc1.c1ccc(-[n+]2c(-c3ccc(-c4nc5ccccc5n4-c4ccc(-c5nc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)n5)cc4)cc3)[nH]c3ccccc32)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c(-c5ccc(-c6[nH]c7ccccc7[n+]6-c6ccccc6)cc5)nc5ccccc54)cc3)n2)cc1
InChIInChI=1S/C64H40N6.C56H36N6.C48H32N6/c1-2-18-46(19-3-1)69-60-28-14-12-26-56(60)67-63(69)42-30-32-43(33-31-42)64-68-57-27-13-15-29-61(57)70(64)47-36-34-41(35-37-47)62-65-58(54-38-44-16-4-6-20-48(44)50-22-8-10-24-52(50)54)40-59(66-62)55-39-45-17-5-7-21-49(45)51-23-9-11-25-53(51)55;1-2-16-46(17-3-1)61-52-20-10-8-18-48(52)59-55(61)40-24-26-41(27-25-40)56-60-49-19-9-11-21-53(49)62(56)47-32-30-39(31-33-47)54-57-50(44-28-22-37-12-4-6-14-42(37)34-44)36-51(58-54)45-29-23-38-13-5-7-15-43(38)35-45;1-4-14-33(15-5-1)42-32-43(34-16-6-2-7-17-34)50-46(49-42)35-28-30-39(31-29-35)54-45-23-13-11-21-41(45)52-48(54)37-26-24-36(25-27-37)47-51-40-20-10-12-22-44(40)53(47)38-18-8-3-9-19-38/h1-40H;1-36H;1-32H/p+3
InChIKeyQXZGUFOZFHATTG-UHFFFAOYSA-Q
XLogP39.64
TPSA189.81 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002381.86
LogP ≤ 539.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole with MolForge

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Related Compounds

1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylbenzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-2-ylbenzimidazole
CID 159325924
9-phenyl-3-[4-(2-phenyl-3H-benzimidazol-1-ium-1-yl)phenyl]-6-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 164809361
4-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6,8-di(triphenylen-2-yl)quinazoline
CID 123286898
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-bis[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine;9-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-N,N-bis[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]carbazol-3-amine
CID 160899710
2-(4-deuteriophenyl)-1-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]benzimidazole;2-(4-deuteriophenyl)-1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-2-(4-methylphenyl)benzimidazole
CID 157091418
5-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]-2,3-dipyridin-2-ylquinoxaline
CID 58161736
2-[3-(1H-benzimidazol-2-yl)-5-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]-1-phenylbenzimidazole
CID 58568859
2-[2-phenanthren-9-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-1-phenylbenzimidazole
CID 167156845
2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole
CID 71104991
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole;2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylbenzimidazole
CID 158004452
2-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]phenyl]benzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole
CID 161378320
9-[4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazole
CID 157066444

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole?
The IUPAC name of 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole (CID 159153433) is 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole?
The canonical SMILES for 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole is c1ccc(-[n+]2c(-c3ccc(-c4nc5ccccc5n4-c4ccc(-c5nc(-c6cc7ccccc7c7ccccc67)cc(-c6cc7ccccc7c7ccccc67)n5)cc4)cc3)[nH]c3ccccc32)cc1.c1ccc(-[n+]2c(-c3ccc(-c4nc5ccccc5n4-c4ccc(-c5nc(-c6ccc7ccccc7c6)cc(-c6ccc7ccccc7c6)n5)cc4)cc3)[nH]c3ccccc32)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c(-c5ccc(-c6[nH]c7ccccc7[n+]6-c6ccccc6)cc5)nc5ccccc54)cc3)n2)cc1.
What is the InChIKey of 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole?
The InChIKey is QXZGUFOZFHATTG-UHFFFAOYSA-Q. The full InChI is InChI=1S/C64H40N6.C56H36N6.C48H32N6/c1-2-18-46(19-3-1)69-60-28-14-12-26-56(60)67-63(69)42-30-32-43(33-31-42)64-68-57-27-13-15-29-61(57)70(64)47-36-34-41(35-37-47)62-65-58(54-38-44-16-4-6-20-48(44)50-22-8-10-24-52(50)54)40-59(66-62)55-39-45-17-5-7-21-49(45)51-23-9-11-25-53(51)55;1-2-16-46(17-3-1)61-52-20-10-8-18-48(52)59-55(61)40-24-26-41(27-25-40)56-60-49-19-9-11-21-53(49)62(56)47-32-30-39(31-33-47)54-57-50(44-28-22-37-12-4-6-14-42(37)34-44)36-51(58-54)45-29-23-38-13-5-7-15-43(38)35-45;1-4-14-33(15-5-1)42-32-43(34-16-6-2-7-17-34)50-46(49-42)35-28-30-39(31-29-35)54-45-23-13-11-21-41(45)52-48(54)37-26-24-36(25-27-37)47-51-40-20-10-12-22-44(40)53(47)38-18-8-3-9-19-38/h1-40H;1-36H;1-32H/p+3.
What are the key properties of 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole?
1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole has a molecular weight of 2381.86 g/mol, XLogP of 39.64, 21 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-[4-(3-phenyl-1H-benzimidazol-3-ium-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 159153433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).