2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[3-[1-(4-tert-butyl-2-phenylphenyl)-2-(2-hydroxyphenyl)benzimidazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]benzimidazol-2-yl]phenol

C74H60N6O2 — CID 176622942

About 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[3-[1-(4-tert-butyl-2-phenylphenyl)-2-(2-hydroxyphenyl)benzimidazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]benzimidazol-2-yl]phenol

2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[3-[1-(4-tert-butyl-2-phenylphenyl)-2-(2-hydroxyphenyl)benzimidazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]benzimidazol-2-yl]phenol (PubChem CID 176622942) has the molecular formula C74H60N6O2 and a molecular weight of 1065.33 g/mol. Its IUPAC name is 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[3-[1-(4-tert-butyl-2-phenylphenyl)-2-(2-hydroxyphenyl)benzimidazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]benzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[3-[1-(4-tert-butyl-2-phenylphenyl)-2-(2-hydroxyphenyl)benzimidazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]benzimidazol-2-yl]phenol
• PubChem CID: 176622942
• Molecular Formula: C74H60N6O2
• Molecular Weight: 1065.33 g/mol
• Exact Mass: 1064.48
• IUPAC Name: 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[3-[1-(4-tert-butyl-2-phenylphenyl)-2-(2-hydroxyphenyl)benzimidazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]benzimidazol-2-yl]phenol
• SMILES: CC(C)(C)c1ccc(-n2c(-c3ccccc3O)nc3c(-c4cccc(-c5cc(-c6cccc(-c7cccc8c7nc(-c7ccccc7O)n8-c7ccc(C(C)(C)C)cc7-c7ccccc7)c6)ncn5)c4)cccc32)c(-c2ccccc2)c1
• InChI: InChI=1S/C74H60N6O2/c1-73(2,3)53-37-39-63(59(43-53)47-21-9-7-10-22-47)79-65-33-19-31-55(69(65)77-71(79)57-29-13-15-35-67(57)81)49-25-17-27-51(41-49)61-45-62(76-46-75-61)52-28-18-26-50(42-52)56-32-20-34-66-70(56)78-72(58-30-14-16-36-68(58)82)80(66)64-40-38-54(74(4,5)6)44-60(64)48-23-11-8-12-24-48/h7-46,81-82H,1-6H3
• InChIKey: MTIZXDADGAXYBY-UHFFFAOYSA-N
• XLogP: 18.50
• TPSA: 101.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1065.33
LogP ≤ 5	18.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[3-[1-(4-tert-butyl-2-phenylphenyl)-2-(2-hydroxyphenyl)benzimidazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]benzimidazol-2-yl]phenol?

The IUPAC name of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[3-[1-(4-tert-butyl-2-phenylphenyl)-2-(2-hydroxyphenyl)benzimidazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]benzimidazol-2-yl]phenol (CID 176622942) is 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[3-[1-(4-tert-butyl-2-phenylphenyl)-2-(2-hydroxyphenyl)benzimidazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]benzimidazol-2-yl]phenol.

What is the SMILES notation for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[3-[1-(4-tert-butyl-2-phenylphenyl)-2-(2-hydroxyphenyl)benzimidazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]benzimidazol-2-yl]phenol?

The canonical SMILES for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[3-[1-(4-tert-butyl-2-phenylphenyl)-2-(2-hydroxyphenyl)benzimidazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]benzimidazol-2-yl]phenol is CC(C)(C)c1ccc(-n2c(-c3ccccc3O)nc3c(-c4cccc(-c5cc(-c6cccc(-c7cccc8c7nc(-c7ccccc7O)n8-c7ccc(C(C)(C)C)cc7-c7ccccc7)c6)ncn5)c4)cccc32)c(-c2ccccc2)c1.

What is the InChIKey of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[3-[1-(4-tert-butyl-2-phenylphenyl)-2-(2-hydroxyphenyl)benzimidazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]benzimidazol-2-yl]phenol?

The InChIKey is MTIZXDADGAXYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H60N6O2/c1-73(2,3)53-37-39-63(59(43-53)47-21-9-7-10-22-47)79-65-33-19-31-55(69(65)77-71(79)57-29-13-15-35-67(57)81)49-25-17-27-51(41-49)61-45-62(76-46-75-61)52-28-18-26-50(42-52)56-32-20-34-66-70(56)78-72(58-30-14-16-36-68(58)82)80(66)64-40-38-54(74(4,5)6)44-60(64)48-23-11-8-12-24-48/h7-46,81-82H,1-6H3.

What are the key properties of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[3-[1-(4-tert-butyl-2-phenylphenyl)-2-(2-hydroxyphenyl)benzimidazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]benzimidazol-2-yl]phenol?

2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[3-[1-(4-tert-butyl-2-phenylphenyl)-2-(2-hydroxyphenyl)benzimidazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]benzimidazol-2-yl]phenol has a molecular weight of 1065.33 g/mol, XLogP of 18.50, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[3-[1-(4-tert-butyl-2-phenylphenyl)-2-(2-hydroxyphenyl)benzimidazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 176622942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).