2,4-dimethyl-6-phenyl-1,3,5-triazine;methane;2-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole;1-pyridin-4-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole

C81H68BN15O2 — CID 161484378

IUPAC2,4-dimethyl-6-phenyl-1,3,5-triazine;methane;2-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole;1-pyridin-4-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
SMILESC.CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccncc3)cc2)OC1(C)C.Cc1nc(C)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5n4-c4ccncc4)cc3)nc(-c3ccc(-c4nc5ccccc5n4-c4ccncc4)cc3)n2)cc1
InChIInChI=1S/C45H29N9.C24H24BN3O2.C11H11N3.CH4/c1-2-8-30(9-3-1)41-50-42(31-14-18-33(19-15-31)44-48-37-10-4-6-12-39(37)53(44)35-22-26-46-27-23-35)52-43(51-41)32-16-20-34(21-17-32)45-49-38-11-5-7-13-40(38)54(45)36-24-28-47-29-25-36;1-23(2)24(3,4)30-25(29-23)18-11-9-17(10-12-18)22-27-20-7-5-6-8-21(20)28(22)19-13-15-26-16-14-19;1-8-12-9(2)14-11(13-8)10-6-4-3-5-7-10;/h1-29H;5-16H,1-4H3;3-7H,1-2H3;1H4
InChIKeyWEUABMFMWOTEEP-UHFFFAOYSA-N
MW1294.35 g/mol
LogP16.85
Rot. Bonds11

About 2,4-dimethyl-6-phenyl-1,3,5-triazine;methane;2-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole;1-pyridin-4-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole

2,4-dimethyl-6-phenyl-1,3,5-triazine;methane;2-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole;1-pyridin-4-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole (PubChem CID 161484378) has the molecular formula C81H68BN15O2 and a molecular weight of 1294.35 g/mol. Its IUPAC name is 2,4-dimethyl-6-phenyl-1,3,5-triazine;methane;2-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole;1-pyridin-4-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name2,4-dimethyl-6-phenyl-1,3,5-triazine;methane;2-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole;1-pyridin-4-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
PubChem CID161484378
Molecular FormulaC81H68BN15O2
Molecular Weight1294.35 g/mol
Exact Mass1293.58
IUPAC Name2,4-dimethyl-6-phenyl-1,3,5-triazine;methane;2-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole;1-pyridin-4-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
SMILESC.CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccncc3)cc2)OC1(C)C.Cc1nc(C)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5n4-c4ccncc4)cc3)nc(-c3ccc(-c4nc5ccccc5n4-c4ccncc4)cc3)n2)cc1
InChIInChI=1S/C45H29N9.C24H24BN3O2.C11H11N3.CH4/c1-2-8-30(9-3-1)41-50-42(31-14-18-33(19-15-31)44-48-37-10-4-6-12-39(37)53(44)35-22-26-46-27-23-35)52-43(51-41)32-16-20-34(21-17-32)45-49-38-11-5-7-13-40(38)54(45)36-24-28-47-29-25-36;1-23(2)24(3,4)30-25(29-23)18-11-9-17(10-12-18)22-27-20-7-5-6-8-21(20)28(22)19-13-15-26-16-14-19;1-8-12-9(2)14-11(13-8)10-6-4-3-5-7-10;/h1-29H;5-16H,1-4H3;3-7H,1-2H3;1H4
InChIKeyWEUABMFMWOTEEP-UHFFFAOYSA-N
XLogP16.85
TPSA187.93 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001294.35
LogP ≤ 516.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-6-phenyl-1,3,5-triazine;methane;2-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole;1-pyridin-4-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole
CID 155173998
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
3,6-dibromophenanthrene;1-phenyl-2-[4-[6-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenanthren-3-yl]phenyl]benzimidazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 161262634
2-phenyl-4-(4-phenylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 139034816
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
1-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 123164452
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4-methylphenyl)benzimidazol-1-yl]phenyl]-2-(4-methylphenyl)benzimidazole
CID 155173966
2-ethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
CID 142719530
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
CID 155173927
1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
CID 155179256
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 145257430
2-methyl-4-phenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 176842902

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-phenyl-1,3,5-triazine;methane;2-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole;1-pyridin-4-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole?
The IUPAC name of 2,4-dimethyl-6-phenyl-1,3,5-triazine;methane;2-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole;1-pyridin-4-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole (CID 161484378) is 2,4-dimethyl-6-phenyl-1,3,5-triazine;methane;2-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole;1-pyridin-4-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 2,4-dimethyl-6-phenyl-1,3,5-triazine;methane;2-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole;1-pyridin-4-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole?
The canonical SMILES for 2,4-dimethyl-6-phenyl-1,3,5-triazine;methane;2-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole;1-pyridin-4-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole is C.CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccncc3)cc2)OC1(C)C.Cc1nc(C)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5n4-c4ccncc4)cc3)nc(-c3ccc(-c4nc5ccccc5n4-c4ccncc4)cc3)n2)cc1.
What is the InChIKey of 2,4-dimethyl-6-phenyl-1,3,5-triazine;methane;2-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole;1-pyridin-4-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole?
The InChIKey is WEUABMFMWOTEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N9.C24H24BN3O2.C11H11N3.CH4/c1-2-8-30(9-3-1)41-50-42(31-14-18-33(19-15-31)44-48-37-10-4-6-12-39(37)53(44)35-22-26-46-27-23-35)52-43(51-41)32-16-20-34(21-17-32)45-49-38-11-5-7-13-40(38)54(45)36-24-28-47-29-25-36;1-23(2)24(3,4)30-25(29-23)18-11-9-17(10-12-18)22-27-20-7-5-6-8-21(20)28(22)19-13-15-26-16-14-19;1-8-12-9(2)14-11(13-8)10-6-4-3-5-7-10;/h1-29H;5-16H,1-4H3;3-7H,1-2H3;1H4.
What are the key properties of 2,4-dimethyl-6-phenyl-1,3,5-triazine;methane;2-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole;1-pyridin-4-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole?
2,4-dimethyl-6-phenyl-1,3,5-triazine;methane;2-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole;1-pyridin-4-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole has a molecular weight of 1294.35 g/mol, XLogP of 16.85, 11 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-phenyl-1,3,5-triazine;methane;2-[4-[4-phenyl-6-[4-(1-pyridin-4-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-4-ylbenzimidazole;1-pyridin-4-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 161484378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).