N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline

C80H56N4 — CID 59702515

About N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline

N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline (PubChem CID 59702515) has the molecular formula C80H56N4 and a molecular weight of 1073.36 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline
• PubChem CID: 59702515
• Molecular Formula: C80H56N4
• Molecular Weight: 1073.36 g/mol
• Exact Mass: 1072.45
• IUPAC Name: N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline
• SMILES: c1ccc(-c2ccc(-c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(-c4nc5ccccc5nc4-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C80H56N4/c1-7-21-57(22-8-1)59-35-39-63(40-36-59)75-55-71(83(67-25-11-3-12-26-67)68-27-13-4-14-28-68)51-53-73(75)61-43-47-65(48-44-61)79-80(82-78-34-20-19-33-77(78)81-79)66-49-45-62(46-50-66)74-54-52-72(84(69-29-15-5-16-30-69)70-31-17-6-18-32-70)56-76(74)64-41-37-60(38-42-64)58-23-9-2-10-24-58/h1-56H
• InChIKey: YCSORWOBFXOWQB-UHFFFAOYSA-N
• XLogP: 21.91
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1073.36
LogP ≤ 5	21.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline?

The IUPAC name of N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline (CID 59702515) is N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline.

What is the SMILES notation for N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline?

The canonical SMILES for N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(-c4nc5ccccc5nc4-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline?

The InChIKey is YCSORWOBFXOWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H56N4/c1-7-21-57(22-8-1)59-35-39-63(40-36-59)75-55-71(83(67-25-11-3-12-26-67)68-27-13-4-14-28-68)51-53-73(75)61-43-47-65(48-44-61)79-80(82-78-34-20-19-33-77(78)81-79)66-49-45-62(46-50-66)74-54-52-72(84(69-29-15-5-16-30-69)70-31-17-6-18-32-70)56-76(74)64-41-37-60(38-42-64)58-23-9-2-10-24-58/h1-56H.

What are the key properties of N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline?

N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline has a molecular weight of 1073.36 g/mol, XLogP of 21.91, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline is sourced from PubChem (CID 59702515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).