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

C68H48N4 — CID 59702508

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

N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline (PubChem CID 59702508) has the molecular formula C68H48N4 and a molecular weight of 921.16 g/mol. Its IUPAC name is N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline
• PubChem CID: 59702508
• Molecular Formula: C68H48N4
• Molecular Weight: 921.16 g/mol
• Exact Mass: 920.39
• IUPAC Name: N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline
• SMILES: c1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4ccc(-c5nc6ccccc6nc5-c5ccc(-c6ccc(N(c7ccccc7)c7cccc(-c8ccccc8)c7)cc6)cc5)cc4)cc3)c2)cc1
• InChI: InChI=1S/C68H48N4/c1-5-17-49(18-6-1)57-21-15-27-63(47-57)71(59-23-9-3-10-24-59)61-43-39-53(40-44-61)51-31-35-55(36-32-51)67-68(70-66-30-14-13-29-65(66)69-67)56-37-33-52(34-38-56)54-41-45-62(46-42-54)72(60-25-11-4-12-26-60)64-28-16-22-58(48-64)50-19-7-2-8-20-50/h1-48H
• InChIKey: DKRRNULRAXGROM-UHFFFAOYSA-N
• XLogP: 18.57
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.16
LogP ≤ 5	18.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline (CID 59702508) is N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline.

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

The canonical SMILES for N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline is c1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4ccc(-c5nc6ccccc6nc5-c5ccc(-c6ccc(N(c7ccccc7)c7cccc(-c8ccccc8)c7)cc6)cc5)cc4)cc3)c2)cc1.

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

The InChIKey is DKRRNULRAXGROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N4/c1-5-17-49(18-6-1)57-21-15-27-63(47-57)71(59-23-9-3-10-24-59)61-43-39-53(40-44-61)51-31-35-55(36-32-51)67-68(70-66-30-14-13-29-65(66)69-67)56-37-33-52(34-38-56)54-41-45-62(46-42-54)72(60-25-11-4-12-26-60)64-28-16-22-58(48-64)50-19-7-2-8-20-50/h1-48H.

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

N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline has a molecular weight of 921.16 g/mol, XLogP of 18.57, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline is sourced from PubChem (CID 59702508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).