6-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(3-methyl-2-phenylbenzimidazol-5-yl)anthracen-1-yl]-1-methyl-2-phenylbenzimidazole;1-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;1-methyl-2-[8-(1-methylbenzimidazol-2-yl)-10-phenylanthracen-1-yl]benzimidazole

C172H122N12 — CID 158369509

IUPAC6-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(3-methyl-2-phenylbenzimidazol-5-yl)anthracen-1-yl]-1-methyl-2-phenylbenzimidazole;1-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;1-methyl-2-[8-(1-methylbenzimidazol-2-yl)-10-phenylanthracen-1-yl]benzimidazole
SMILESCc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3cccc(-c4c5cccc(-c6ccc7nc(-c8ccccc8)n(C)c7c6)c5cc5c(-c6ccc7nc(-c8ccccc8)n(C)c7c6)cccc45)c32)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3cccc(-c4c5cccc(-n6c(-c7ccccc7)nc7ccccc76)c5cc5c(-n6c(-c7ccccc7)nc7ccccc76)cccc45)c32)cc1.Cn1c(-c2cccc3c(-c4ccccc4)c4cccc(-c5nc6ccccc6n5C)c4cc23)nc2ccccc21
InChIInChI=1S/C69H50N4.C67H46N4.C36H26N4/c1-43-28-34-49(35-29-43)69(50-36-30-44(2)31-37-50)60-27-12-11-20-53(60)56-25-15-26-57(66(56)69)65-54-23-13-21-51(47-32-38-61-63(40-47)72(3)67(70-61)45-16-7-5-8-17-45)58(54)42-59-52(22-14-24-55(59)65)48-33-39-62-64(41-48)73(4)68(71-62)46-18-9-6-10-19-46;1-43-34-38-47(39-35-43)67(48-40-36-44(2)37-41-48)56-27-10-9-22-49(56)52-25-15-26-53(64(52)67)63-50-23-16-32-59(70-61-30-13-11-28-57(61)68-65(70)45-18-5-3-6-19-45)54(50)42-55-51(63)24-17-33-60(55)71-62-31-14-12-29-58(62)69-66(71)46-20-7-4-8-21-46;1-39-32-20-8-6-18-30(32)37-35(39)26-16-10-14-24-28(26)22-29-25(34(24)23-12-4-3-5-13-23)15-11-17-27(29)36-38-31-19-7-9-21-33(31)40(36)2/h5-42H,1-4H3;3-42H,1-2H3;3-22H,1-2H3
InChIKeyGULCDKSOGBGTFM-UHFFFAOYSA-N
MW2356.95 g/mol
LogP42.50
Rot. Bonds17

About 6-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(3-methyl-2-phenylbenzimidazol-5-yl)anthracen-1-yl]-1-methyl-2-phenylbenzimidazole;1-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;1-methyl-2-[8-(1-methylbenzimidazol-2-yl)-10-phenylanthracen-1-yl]benzimidazole

6-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(3-methyl-2-phenylbenzimidazol-5-yl)anthracen-1-yl]-1-methyl-2-phenylbenzimidazole;1-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;1-methyl-2-[8-(1-methylbenzimidazol-2-yl)-10-phenylanthracen-1-yl]benzimidazole (PubChem CID 158369509) has the molecular formula C172H122N12 and a molecular weight of 2356.95 g/mol. Its IUPAC name is 6-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(3-methyl-2-phenylbenzimidazol-5-yl)anthracen-1-yl]-1-methyl-2-phenylbenzimidazole;1-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;1-methyl-2-[8-(1-methylbenzimidazol-2-yl)-10-phenylanthracen-1-yl]benzimidazole.

Molecular Properties

Compound Name6-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(3-methyl-2-phenylbenzimidazol-5-yl)anthracen-1-yl]-1-methyl-2-phenylbenzimidazole;1-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;1-methyl-2-[8-(1-methylbenzimidazol-2-yl)-10-phenylanthracen-1-yl]benzimidazole
PubChem CID158369509
Molecular FormulaC172H122N12
Molecular Weight2356.95 g/mol
Exact Mass2354.99
IUPAC Name6-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(3-methyl-2-phenylbenzimidazol-5-yl)anthracen-1-yl]-1-methyl-2-phenylbenzimidazole;1-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;1-methyl-2-[8-(1-methylbenzimidazol-2-yl)-10-phenylanthracen-1-yl]benzimidazole
SMILESCc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3cccc(-c4c5cccc(-c6ccc7nc(-c8ccccc8)n(C)c7c6)c5cc5c(-c6ccc7nc(-c8ccccc8)n(C)c7c6)cccc45)c32)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3cccc(-c4c5cccc(-n6c(-c7ccccc7)nc7ccccc76)c5cc5c(-n6c(-c7ccccc7)nc7ccccc76)cccc45)c32)cc1.Cn1c(-c2cccc3c(-c4ccccc4)c4cccc(-c5nc6ccccc6n5C)c4cc23)nc2ccccc21
InChIInChI=1S/C69H50N4.C67H46N4.C36H26N4/c1-43-28-34-49(35-29-43)69(50-36-30-44(2)31-37-50)60-27-12-11-20-53(60)56-25-15-26-57(66(56)69)65-54-23-13-21-51(47-32-38-61-63(40-47)72(3)67(70-61)45-16-7-5-8-17-45)58(54)42-59-52(22-14-24-55(59)65)48-33-39-62-64(41-48)73(4)68(71-62)46-18-9-6-10-19-46;1-43-34-38-47(39-35-43)67(48-40-36-44(2)37-41-48)56-27-10-9-22-49(56)52-25-15-26-53(64(52)67)63-50-23-16-32-59(70-61-30-13-11-28-57(61)68-65(70)45-18-5-3-6-19-45)54(50)42-55-51(63)24-17-33-60(55)71-62-31-14-12-29-58(62)69-66(71)46-20-7-4-8-21-46;1-39-32-20-8-6-18-30(32)37-35(39)26-16-10-14-24-28(26)22-29-25(34(24)23-12-4-3-5-13-23)15-11-17-27(29)36-38-31-19-7-9-21-33(31)40(36)2/h5-42H,1-4H3;3-42H,1-2H3;3-22H,1-2H3
InChIKeyGULCDKSOGBGTFM-UHFFFAOYSA-N
XLogP42.50
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms184
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002356.95
LogP ≤ 542.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 6-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(3-methyl-2-phenylbenzimidazol-5-yl)anthracen-1-yl]-1-methyl-2-phenylbenzimidazole;1-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;1-methyl-2-[8-(1-methylbenzimidazol-2-yl)-10-phenylanthracen-1-yl]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(3-methyl-2-phenylbenzimidazol-5-yl)anthracen-1-yl]-1-methyl-2-phenylbenzimidazole;1-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;1-methyl-2-[8-(1-methylbenzimidazol-2-yl)-10-phenylanthracen-1-yl]benzimidazole?
The IUPAC name of 6-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(3-methyl-2-phenylbenzimidazol-5-yl)anthracen-1-yl]-1-methyl-2-phenylbenzimidazole;1-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;1-methyl-2-[8-(1-methylbenzimidazol-2-yl)-10-phenylanthracen-1-yl]benzimidazole (CID 158369509) is 6-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(3-methyl-2-phenylbenzimidazol-5-yl)anthracen-1-yl]-1-methyl-2-phenylbenzimidazole;1-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;1-methyl-2-[8-(1-methylbenzimidazol-2-yl)-10-phenylanthracen-1-yl]benzimidazole.
What is the SMILES notation for 6-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(3-methyl-2-phenylbenzimidazol-5-yl)anthracen-1-yl]-1-methyl-2-phenylbenzimidazole;1-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;1-methyl-2-[8-(1-methylbenzimidazol-2-yl)-10-phenylanthracen-1-yl]benzimidazole?
The canonical SMILES for 6-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(3-methyl-2-phenylbenzimidazol-5-yl)anthracen-1-yl]-1-methyl-2-phenylbenzimidazole;1-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;1-methyl-2-[8-(1-methylbenzimidazol-2-yl)-10-phenylanthracen-1-yl]benzimidazole is Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3cccc(-c4c5cccc(-c6ccc7nc(-c8ccccc8)n(C)c7c6)c5cc5c(-c6ccc7nc(-c8ccccc8)n(C)c7c6)cccc45)c32)cc1.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3cccc(-c4c5cccc(-n6c(-c7ccccc7)nc7ccccc76)c5cc5c(-n6c(-c7ccccc7)nc7ccccc76)cccc45)c32)cc1.Cn1c(-c2cccc3c(-c4ccccc4)c4cccc(-c5nc6ccccc6n5C)c4cc23)nc2ccccc21.
What is the InChIKey of 6-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(3-methyl-2-phenylbenzimidazol-5-yl)anthracen-1-yl]-1-methyl-2-phenylbenzimidazole;1-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;1-methyl-2-[8-(1-methylbenzimidazol-2-yl)-10-phenylanthracen-1-yl]benzimidazole?
The InChIKey is GULCDKSOGBGTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H50N4.C67H46N4.C36H26N4/c1-43-28-34-49(35-29-43)69(50-36-30-44(2)31-37-50)60-27-12-11-20-53(60)56-25-15-26-57(66(56)69)65-54-23-13-21-51(47-32-38-61-63(40-47)72(3)67(70-61)45-16-7-5-8-17-45)58(54)42-59-52(22-14-24-55(59)65)48-33-39-62-64(41-48)73(4)68(71-62)46-18-9-6-10-19-46;1-43-34-38-47(39-35-43)67(48-40-36-44(2)37-41-48)56-27-10-9-22-49(56)52-25-15-26-53(64(52)67)63-50-23-16-32-59(70-61-30-13-11-28-57(61)68-65(70)45-18-5-3-6-19-45)54(50)42-55-51(63)24-17-33-60(55)71-62-31-14-12-29-58(62)69-66(71)46-20-7-4-8-21-46;1-39-32-20-8-6-18-30(32)37-35(39)26-16-10-14-24-28(26)22-29-25(34(24)23-12-4-3-5-13-23)15-11-17-27(29)36-38-31-19-7-9-21-33(31)40(36)2/h5-42H,1-4H3;3-42H,1-2H3;3-22H,1-2H3.
What are the key properties of 6-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(3-methyl-2-phenylbenzimidazol-5-yl)anthracen-1-yl]-1-methyl-2-phenylbenzimidazole;1-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;1-methyl-2-[8-(1-methylbenzimidazol-2-yl)-10-phenylanthracen-1-yl]benzimidazole?
6-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(3-methyl-2-phenylbenzimidazol-5-yl)anthracen-1-yl]-1-methyl-2-phenylbenzimidazole;1-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;1-methyl-2-[8-(1-methylbenzimidazol-2-yl)-10-phenylanthracen-1-yl]benzimidazole has a molecular weight of 2356.95 g/mol, XLogP of 42.50, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(3-methyl-2-phenylbenzimidazol-5-yl)anthracen-1-yl]-1-methyl-2-phenylbenzimidazole;1-[10-[9,9-bis(4-methylphenyl)fluoren-1-yl]-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;1-methyl-2-[8-(1-methylbenzimidazol-2-yl)-10-phenylanthracen-1-yl]benzimidazole is sourced from PubChem (CID 158369509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).