N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2-phenylaniline

C70H46N6O2 — CID 88592158

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2-phenylaniline

N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2-phenylaniline (PubChem CID 88592158) has the molecular formula C70H46N6O2 and a molecular weight of 1003.18 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2-phenylaniline.

Molecular Properties

• Compound Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2-phenylaniline
• PubChem CID: 88592158
• Molecular Formula: C70H46N6O2
• Molecular Weight: 1003.18 g/mol
• Exact Mass: 1002.37
• IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2-phenylaniline
• SMILES: c1ccc(-c2ccccc2N(c2ccc(-c3nc4ccccc4o3)cc2)c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4ccccc4-c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C70H46N6O2/c1-3-17-47(18-4-1)57-21-7-13-27-63(57)75(55-43-35-51(36-44-55)69-73-61-25-11-15-29-65(61)77-69)53-39-31-49(32-40-53)67-68(72-60-24-10-9-23-59(60)71-67)50-33-41-54(42-34-50)76(64-28-14-8-22-58(64)48-19-5-2-6-20-48)56-45-37-52(38-46-56)70-74-62-26-12-16-30-66(62)78-70/h1-46H
• InChIKey: DRZASBKEXUCUPM-UHFFFAOYSA-N
• XLogP: 18.85
• TPSA: 84.32 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.18
LogP ≤ 5	18.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2-phenylaniline?

The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2-phenylaniline (CID 88592158) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2-phenylaniline.

What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2-phenylaniline?

The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2-phenylaniline is c1ccc(-c2ccccc2N(c2ccc(-c3nc4ccccc4o3)cc2)c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4ccccc4-c4ccccc4)cc3)cc2)cc1.

What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2-phenylaniline?

The InChIKey is DRZASBKEXUCUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N6O2/c1-3-17-47(18-4-1)57-21-7-13-27-63(57)75(55-43-35-51(36-44-55)69-73-61-25-11-15-29-65(61)77-69)53-39-31-49(32-40-53)67-68(72-60-24-10-9-23-59(60)71-67)50-33-41-54(42-34-50)76(64-28-14-8-22-58(64)48-19-5-2-6-20-48)56-45-37-52(38-46-56)70-74-62-26-12-16-30-66(62)78-70/h1-46H.

What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2-phenylaniline?

N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2-phenylaniline has a molecular weight of 1003.18 g/mol, XLogP of 18.85, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2-phenylaniline is sourced from PubChem (CID 88592158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).