6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole

C208H144N16 — CID 162249648

IUPAC6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole
SMILESCc1nc2ccc(-c3cccc4c(-c5ccc(-c6ccccc6)c6ccccc56)c5cccc(-c6ccc7nc(C)n(C)c7c6)c5cc34)cc2n1C.Cc1nc2ccccc2n1-c1cccc2c(-c3ccc(-c4ccccc4)c4ccccc34)c3cccc(-n4c(C)nc5ccccc54)c3cc12.Cn1c(-c2ccccc2)nc2ccc(-c3cccc4c(-c5ccc(-c6ccccc6)c6ccccc56)c5cccc(-c6ccc7nc(-c8ccccc8)n(C)c7c6)c5cc34)cc21.c1ccc(-c2ccc(-c3c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4cc4c(-n5c(-c6ccccc6)nc6ccccc65)cccc34)c3ccccc23)cc1
InChIInChI=1S/C58H40N4.C56H36N4.C48H36N4.C46H32N4/c1-61-54-34-40(28-32-52(54)59-57(61)38-18-8-4-9-19-38)42-24-14-26-47-50(42)36-51-43(41-29-33-53-55(35-41)62(2)58(60-53)39-20-10-5-11-21-39)25-15-27-48(51)56(47)49-31-30-44(37-16-6-3-7-17-37)45-22-12-13-23-46(45)49;1-4-18-37(19-5-1)40-34-35-45(42-25-11-10-24-41(40)42)54-43-26-16-32-50(59-52-30-14-12-28-48(52)57-55(59)38-20-6-2-7-21-38)46(43)36-47-44(54)27-17-33-51(47)60-53-31-15-13-29-49(53)58-56(60)39-22-8-3-9-23-39;1-29-49-44-24-20-32(26-46(44)51(29)3)34-16-10-18-39-42(34)28-43-35(33-21-25-45-47(27-33)52(4)30(2)50-45)17-11-19-40(43)48(39)41-23-22-36(31-12-6-5-7-13-31)37-14-8-9-15-38(37)41;1-29-47-40-20-8-10-22-44(40)49(29)42-24-12-18-35-38(42)28-39-36(19-13-25-43(39)50-30(2)48-41-21-9-11-23-45(41)50)46(35)37-27-26-32(31-14-4-3-5-15-31)33-16-6-7-17-34(33)37/h3-36H,1-2H3;1-36H;5-28H,1-4H3;3-28H,1-2H3
InChIKeyZXUVDJIGDCVVLI-UHFFFAOYSA-N
MW2867.55 g/mol
LogP53.39
Rot. Bonds20

About 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole

6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole (PubChem CID 162249648) has the molecular formula C208H144N16 and a molecular weight of 2867.55 g/mol. Its IUPAC name is 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole.

Molecular Properties

Compound Name6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole
PubChem CID162249648
Molecular FormulaC208H144N16
Molecular Weight2867.55 g/mol
Exact Mass2865.18
IUPAC Name6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole
SMILESCc1nc2ccc(-c3cccc4c(-c5ccc(-c6ccccc6)c6ccccc56)c5cccc(-c6ccc7nc(C)n(C)c7c6)c5cc34)cc2n1C.Cc1nc2ccccc2n1-c1cccc2c(-c3ccc(-c4ccccc4)c4ccccc34)c3cccc(-n4c(C)nc5ccccc54)c3cc12.Cn1c(-c2ccccc2)nc2ccc(-c3cccc4c(-c5ccc(-c6ccccc6)c6ccccc56)c5cccc(-c6ccc7nc(-c8ccccc8)n(C)c7c6)c5cc34)cc21.c1ccc(-c2ccc(-c3c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4cc4c(-n5c(-c6ccccc6)nc6ccccc65)cccc34)c3ccccc23)cc1
InChIInChI=1S/C58H40N4.C56H36N4.C48H36N4.C46H32N4/c1-61-54-34-40(28-32-52(54)59-57(61)38-18-8-4-9-19-38)42-24-14-26-47-50(42)36-51-43(41-29-33-53-55(35-41)62(2)58(60-53)39-20-10-5-11-21-39)25-15-27-48(51)56(47)49-31-30-44(37-16-6-3-7-17-37)45-22-12-13-23-46(45)49;1-4-18-37(19-5-1)40-34-35-45(42-25-11-10-24-41(40)42)54-43-26-16-32-50(59-52-30-14-12-28-48(52)57-55(59)38-20-6-2-7-21-38)46(43)36-47-44(54)27-17-33-51(47)60-53-31-15-13-29-49(53)58-56(60)39-22-8-3-9-23-39;1-29-49-44-24-20-32(26-46(44)51(29)3)34-16-10-18-39-42(34)28-43-35(33-21-25-45-47(27-33)52(4)30(2)50-45)17-11-19-40(43)48(39)41-23-22-36(31-12-6-5-7-13-31)37-14-8-9-15-38(37)41;1-29-47-40-20-8-10-22-44(40)49(29)42-24-12-18-35-38(42)28-39-36(19-13-25-43(39)50-30(2)48-41-21-9-11-23-45(41)50)46(35)37-27-26-32(31-14-4-3-5-15-31)33-16-6-7-17-34(33)37/h3-36H,1-2H3;1-36H;5-28H,1-4H3;3-28H,1-2H3
InChIKeyZXUVDJIGDCVVLI-UHFFFAOYSA-N
XLogP53.39
TPSA142.56 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms224
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002867.55
LogP ≤ 553.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole?
The IUPAC name of 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole (CID 162249648) is 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole.
What is the SMILES notation for 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole?
The canonical SMILES for 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole is Cc1nc2ccc(-c3cccc4c(-c5ccc(-c6ccccc6)c6ccccc56)c5cccc(-c6ccc7nc(C)n(C)c7c6)c5cc34)cc2n1C.Cc1nc2ccccc2n1-c1cccc2c(-c3ccc(-c4ccccc4)c4ccccc34)c3cccc(-n4c(C)nc5ccccc54)c3cc12.Cn1c(-c2ccccc2)nc2ccc(-c3cccc4c(-c5ccc(-c6ccccc6)c6ccccc56)c5cccc(-c6ccc7nc(-c8ccccc8)n(C)c7c6)c5cc34)cc21.c1ccc(-c2ccc(-c3c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4cc4c(-n5c(-c6ccccc6)nc6ccccc65)cccc34)c3ccccc23)cc1.
What is the InChIKey of 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole?
The InChIKey is ZXUVDJIGDCVVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N4.C56H36N4.C48H36N4.C46H32N4/c1-61-54-34-40(28-32-52(54)59-57(61)38-18-8-4-9-19-38)42-24-14-26-47-50(42)36-51-43(41-29-33-53-55(35-41)62(2)58(60-53)39-20-10-5-11-21-39)25-15-27-48(51)56(47)49-31-30-44(37-16-6-3-7-17-37)45-22-12-13-23-46(45)49;1-4-18-37(19-5-1)40-34-35-45(42-25-11-10-24-41(40)42)54-43-26-16-32-50(59-52-30-14-12-28-48(52)57-55(59)38-20-6-2-7-21-38)46(43)36-47-44(54)27-17-33-51(47)60-53-31-15-13-29-49(53)58-56(60)39-22-8-3-9-23-39;1-29-49-44-24-20-32(26-46(44)51(29)3)34-16-10-18-39-42(34)28-43-35(33-21-25-45-47(27-33)52(4)30(2)50-45)17-11-19-40(43)48(39)41-23-22-36(31-12-6-5-7-13-31)37-14-8-9-15-38(37)41;1-29-47-40-20-8-10-22-44(40)49(29)42-24-12-18-35-38(42)28-39-36(19-13-25-43(39)50-30(2)48-41-21-9-11-23-45(41)50)46(35)37-27-26-32(31-14-4-3-5-15-31)33-16-6-7-17-34(33)37/h3-36H,1-2H3;1-36H;5-28H,1-4H3;3-28H,1-2H3.
What are the key properties of 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole?
6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole has a molecular weight of 2867.55 g/mol, XLogP of 53.39, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole is sourced from PubChem (CID 162249648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).