4-phenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-[4-[3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]aniline

C62H45N5 — CID 122424894

About 4-phenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-[4-[3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]aniline

4-phenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-[4-[3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]aniline (PubChem CID 122424894) has the molecular formula C62H45N5 and a molecular weight of 860.08 g/mol. Its IUPAC name is 4-phenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-[4-[3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-phenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-[4-[3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]aniline
• PubChem CID: 122424894
• Molecular Formula: C62H45N5
• Molecular Weight: 860.08 g/mol
• Exact Mass: 859.37
• IUPAC Name: 4-phenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-[4-[3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc(N5c6ccccc6NC5c5ccccc5)c4)cc3)c3ccc(-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4)cc3)cc2)cc1
• InChI: InChI=1S/C62H45N5/c1-4-16-44(17-5-1)45-30-36-52(37-31-45)65(53-38-32-46(33-39-53)50-22-14-24-55(42-50)66-59-28-12-10-26-57(59)63-61(66)48-18-6-2-7-19-48)54-40-34-47(35-41-54)51-23-15-25-56(43-51)67-60-29-13-11-27-58(60)64-62(67)49-20-8-3-9-21-49/h1-43,61,63H
• InChIKey: JVNIHJYOZMZDBH-UHFFFAOYSA-N
• XLogP: 16.43
• TPSA: 36.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	860.08
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-[4-[3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]aniline?

The IUPAC name of 4-phenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-[4-[3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]aniline (CID 122424894) is 4-phenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-[4-[3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]aniline.

What is the SMILES notation for 4-phenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-[4-[3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]aniline?

The canonical SMILES for 4-phenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-[4-[3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc(N5c6ccccc6NC5c5ccccc5)c4)cc3)c3ccc(-c4cccc(-n5c(-c6ccccc6)nc6ccccc65)c4)cc3)cc2)cc1.

What is the InChIKey of 4-phenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-[4-[3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]aniline?

The InChIKey is JVNIHJYOZMZDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45N5/c1-4-16-44(17-5-1)45-30-36-52(37-31-45)65(53-38-32-46(33-39-53)50-22-14-24-55(42-50)66-59-28-12-10-26-57(59)63-61(66)48-18-6-2-7-19-48)54-40-34-47(35-41-54)51-23-15-25-56(43-51)67-60-29-13-11-27-58(60)64-62(67)49-20-8-3-9-21-49/h1-43,61,63H.

What are the key properties of 4-phenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-[4-[3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]aniline?

4-phenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-[4-[3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]aniline has a molecular weight of 860.08 g/mol, XLogP of 16.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-N-[4-[3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 122424894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).