5-[3-[4-[3,5-bis[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole

C94H56F4N14 — CID 155174072

IUPAC5-[3-[4-[3,5-bis[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole
SMILESFc1ccc(-c2nc3ccccc3n2-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)nc(-c5cccc(F)c5)n6-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc(-n6c(-c7cccc(F)c7)nc7ccccc76)c5)c4)n3)cc(-n3c(-c4ccc(F)cc4)nc4ccccc43)c2)cc1
InChIInChI=1S/C94H56F4N14/c95-69-42-37-60(38-43-69)91-99-77-31-10-13-34-81(77)109(91)73-50-68(51-74(55-73)110-82-35-14-11-32-78(82)100-92(110)61-39-44-70(96)45-40-61)90-107-87(59-23-8-3-9-24-59)104-88(108-90)64-26-16-25-62(47-64)63-41-46-84-80(54-63)102-94(66-28-18-30-72(98)49-66)112(84)76-53-67(89-105-85(57-19-4-1-5-20-57)103-86(106-89)58-21-6-2-7-22-58)52-75(56-76)111-83-36-15-12-33-79(83)101-93(111)65-27-17-29-71(97)48-65/h1-56H
InChIKeyJNBIWHKUIQBWDJ-UHFFFAOYSA-N
MW1457.57 g/mol
LogP22.31
Rot. Bonds15

About 5-[3-[4-[3,5-bis[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole

5-[3-[4-[3,5-bis[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole (PubChem CID 155174072) has the molecular formula C94H56F4N14 and a molecular weight of 1457.57 g/mol. Its IUPAC name is 5-[3-[4-[3,5-bis[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole.

Molecular Properties

Compound Name5-[3-[4-[3,5-bis[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole
PubChem CID155174072
Molecular FormulaC94H56F4N14
Molecular Weight1457.57 g/mol
Exact Mass1456.47
IUPAC Name5-[3-[4-[3,5-bis[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole
SMILESFc1ccc(-c2nc3ccccc3n2-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)nc(-c5cccc(F)c5)n6-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc(-n6c(-c7cccc(F)c7)nc7ccccc76)c5)c4)n3)cc(-n3c(-c4ccc(F)cc4)nc4ccccc43)c2)cc1
InChIInChI=1S/C94H56F4N14/c95-69-42-37-60(38-43-69)91-99-77-31-10-13-34-81(77)109(91)73-50-68(51-74(55-73)110-82-35-14-11-32-78(82)100-92(110)61-39-44-70(96)45-40-61)90-107-87(59-23-8-3-9-24-59)104-88(108-90)64-26-16-25-62(47-64)63-41-46-84-80(54-63)102-94(66-28-18-30-72(98)49-66)112(84)76-53-67(89-105-85(57-19-4-1-5-20-57)103-86(106-89)58-21-6-2-7-22-58)52-75(56-76)111-83-36-15-12-33-79(83)101-93(111)65-27-17-29-71(97)48-65/h1-56H
InChIKeyJNBIWHKUIQBWDJ-UHFFFAOYSA-N
XLogP22.31
TPSA148.62 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001457.57
LogP ≤ 522.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[3,5-bis[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole?
The IUPAC name of 5-[3-[4-[3,5-bis[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole (CID 155174072) is 5-[3-[4-[3,5-bis[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole.
What is the SMILES notation for 5-[3-[4-[3,5-bis[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole?
The canonical SMILES for 5-[3-[4-[3,5-bis[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole is Fc1ccc(-c2nc3ccccc3n2-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)nc(-c5cccc(F)c5)n6-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc(-n6c(-c7cccc(F)c7)nc7ccccc76)c5)c4)n3)cc(-n3c(-c4ccc(F)cc4)nc4ccccc43)c2)cc1.
What is the InChIKey of 5-[3-[4-[3,5-bis[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole?
The InChIKey is JNBIWHKUIQBWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H56F4N14/c95-69-42-37-60(38-43-69)91-99-77-31-10-13-34-81(77)109(91)73-50-68(51-74(55-73)110-82-35-14-11-32-78(82)100-92(110)61-39-44-70(96)45-40-61)90-107-87(59-23-8-3-9-24-59)104-88(108-90)64-26-16-25-62(47-64)63-41-46-84-80(54-63)102-94(66-28-18-30-72(98)49-66)112(84)76-53-67(89-105-85(57-19-4-1-5-20-57)103-86(106-89)58-21-6-2-7-22-58)52-75(56-76)111-83-36-15-12-33-79(83)101-93(111)65-27-17-29-71(97)48-65/h1-56H.
What are the key properties of 5-[3-[4-[3,5-bis[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole?
5-[3-[4-[3,5-bis[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole has a molecular weight of 1457.57 g/mol, XLogP of 22.31, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[3,5-bis[2-(4-fluorophenyl)benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole is sourced from PubChem (CID 155174072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).