2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[3-[4-[3-[2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole

C51H33F6N7 — CID 155186086

IUPAC2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[3-[4-[3-[2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole
SMILESCc1cc(-c2nc3ccccc3n2-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c(-c6cc(C)cc(C(F)(F)F)c6)nc6ccccc65)c4)n3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C51H33F6N7/c1-30-22-35(26-37(24-30)50(52,53)54)48-58-41-18-6-8-20-43(41)63(48)39-16-10-14-33(28-39)46-60-45(32-12-4-3-5-13-32)61-47(62-46)34-15-11-17-40(29-34)64-44-21-9-7-19-42(44)59-49(64)36-23-31(2)25-38(27-36)51(55,56)57/h3-29H,1-2H3
InChIKeyFXXRNDQSNYLQLF-UHFFFAOYSA-N
MW857.86 g/mol
LogP13.54
Rot. Bonds7

About 2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[3-[4-[3-[2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole

2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[3-[4-[3-[2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole (PubChem CID 155186086) has the molecular formula C51H33F6N7 and a molecular weight of 857.86 g/mol. Its IUPAC name is 2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[3-[4-[3-[2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[3-[4-[3-[2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole
PubChem CID155186086
Molecular FormulaC51H33F6N7
Molecular Weight857.86 g/mol
Exact Mass857.27
IUPAC Name2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[3-[4-[3-[2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole
SMILESCc1cc(-c2nc3ccccc3n2-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c(-c6cc(C)cc(C(F)(F)F)c6)nc6ccccc65)c4)n3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C51H33F6N7/c1-30-22-35(26-37(24-30)50(52,53)54)48-58-41-18-6-8-20-43(41)63(48)39-16-10-14-33(28-39)46-60-45(32-12-4-3-5-13-32)61-47(62-46)34-15-11-17-40(29-34)64-44-21-9-7-19-42(44)59-49(64)36-23-31(2)25-38(27-36)51(55,56)57/h3-29H,1-2H3
InChIKeyFXXRNDQSNYLQLF-UHFFFAOYSA-N
XLogP13.54
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.86
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[3-[4-[3-[2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole with MolForge

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Related Compounds

1-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole
CID 155173845
2-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole
CID 155173885
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole
CID 155173937
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
4-[4-[3-[4-phenyl-6-[3-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline
CID 170034469
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
2-phenyl-1-[3-[4-phenyl-6-[11-[4-phenyl-6-[3-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 165150877
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
1-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(3-propan-2-ylphenyl)benzimidazole
CID 155179260
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
2-[3-[4-phenyl-6-[3-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-3-ylbenzimidazole
CID 155185764

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[3-[4-[3-[2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole?
The IUPAC name of 2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[3-[4-[3-[2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole (CID 155186086) is 2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[3-[4-[3-[2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole.
What is the SMILES notation for 2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[3-[4-[3-[2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole?
The canonical SMILES for 2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[3-[4-[3-[2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole is Cc1cc(-c2nc3ccccc3n2-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c(-c6cc(C)cc(C(F)(F)F)c6)nc6ccccc65)c4)n3)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[3-[4-[3-[2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole?
The InChIKey is FXXRNDQSNYLQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33F6N7/c1-30-22-35(26-37(24-30)50(52,53)54)48-58-41-18-6-8-20-43(41)63(48)39-16-10-14-33(28-39)46-60-45(32-12-4-3-5-13-32)61-47(62-46)34-15-11-17-40(29-34)64-44-21-9-7-19-42(44)59-49(64)36-23-31(2)25-38(27-36)51(55,56)57/h3-29H,1-2H3.
What are the key properties of 2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[3-[4-[3-[2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole?
2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[3-[4-[3-[2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole has a molecular weight of 857.86 g/mol, XLogP of 13.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[3-[4-[3-[2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole is sourced from PubChem (CID 155186086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).