2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-[2-[2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole

C60H38F14N8 — CID 123840123

About 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-[2-[2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole

2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-[2-[2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole (PubChem CID 123840123) has the molecular formula C60H38F14N8 and a molecular weight of 1136.99 g/mol. Its IUPAC name is 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-[2-[2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole.

Molecular Properties

• Compound Name: 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-[2-[2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole
• PubChem CID: 123840123
• Molecular Formula: C60H38F14N8
• Molecular Weight: 1136.99 g/mol
• Exact Mass: 1136.30
• IUPAC Name: 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-[2-[2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole
• SMILES: Cc1ccc(C(c2ccc(-c3nc4ccc(-c5ccc6nc(C)[nH]c6c5)cc4[nH]3)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1nc2ccc(-c3ccc4nc(-c5c(F)c(F)c(Cc6c(F)c(F)c(C)c(F)c6F)c(F)c5F)[nH]c4c3)cc2[nH]1
• InChI: InChI=1S/C31H22F6N4.C29H16F8N4/c1-17-3-9-22(10-4-17)29(30(32,33)34,31(35,36)37)23-11-5-19(6-12-23)28-40-25-14-8-21(16-27(25)41-28)20-7-13-24-26(15-20)39-18(2)38-24;1-10-21(30)23(32)14(24(33)22(10)31)9-15-25(34)27(36)20(28(37)26(15)35)29-40-17-6-4-13(8-19(17)41-29)12-3-5-16-18(7-12)39-11(2)38-16/h3-16H,1-2H3,(H,38,39)(H,40,41);3-8H,9H2,1-2H3,(H,38,39)(H,40,41)
• InChIKey: RKJZHVUYLKSZSQ-UHFFFAOYSA-N
• XLogP: 16.89
• TPSA: 114.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1136.99
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-[2-[2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole?

The IUPAC name of 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-[2-[2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole (CID 123840123) is 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-[2-[2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole.

What is the SMILES notation for 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-[2-[2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole?

The canonical SMILES for 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-[2-[2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole is Cc1ccc(C(c2ccc(-c3nc4ccc(-c5ccc6nc(C)[nH]c6c5)cc4[nH]3)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1nc2ccc(-c3ccc4nc(-c5c(F)c(F)c(Cc6c(F)c(F)c(C)c(F)c6F)c(F)c5F)[nH]c4c3)cc2[nH]1.

What is the InChIKey of 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-[2-[2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole?

The InChIKey is RKJZHVUYLKSZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22F6N4.C29H16F8N4/c1-17-3-9-22(10-4-17)29(30(32,33)34,31(35,36)37)23-11-5-19(6-12-23)28-40-25-14-8-21(16-27(25)41-28)20-7-13-24-26(15-20)39-18(2)38-24;1-10-21(30)23(32)14(24(33)22(10)31)9-15-25(34)27(36)20(28(37)26(15)35)29-40-17-6-4-13(8-19(17)41-29)12-3-5-16-18(7-12)39-11(2)38-16/h3-16H,1-2H3,(H,38,39)(H,40,41);3-8H,9H2,1-2H3,(H,38,39)(H,40,41).

What are the key properties of 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-[2-[2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole?

2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-[2-[2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole has a molecular weight of 1136.99 g/mol, XLogP of 16.89, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazole;2-methyl-6-[2-[2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 123840123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).