N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline

C₅₃H₃₄N₂O₂ — CID 171754122

About N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline

N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline (PubChem CID 171754122) has the molecular formula C₅₃H₃₄N₂O₂ and a molecular weight of 730.87 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline.

Molecular Properties

• Compound Name: N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline
• PubChem CID: 171754122
• Molecular Formula: C₅₃H₃₄N₂O₂
• Molecular Weight: 730.87 g/mol
• Exact Mass: 730.26
• IUPAC Name: N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline
• SMILES: c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5oc6c7ccccc7cc(-c7cccc8oc(-c9ccccc9)nc78)c6c5c4)cc3)cc2)cc1
• InChI: InChI=1S/C53H34N2O2/c1-4-13-35(14-5-1)36-23-28-42(29-24-36)55(41-18-8-3-9-19-41)43-30-25-37(26-31-43)39-27-32-48-47(33-39)50-46(34-40-17-10-11-20-44(40)52(50)56-48)45-21-12-22-49-51(45)54-53(57-49)38-15-6-2-7-16-38/h1-34H
• InChIKey: SRISJOZOGOBMFH-UHFFFAOYSA-N
• XLogP: 15.02
• TPSA: 42.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.87
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline?

The IUPAC name of N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline (CID 171754122) is N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline.

What is the SMILES notation for N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline?

The canonical SMILES for N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5oc6c7ccccc7cc(-c7cccc8oc(-c9ccccc9)nc78)c6c5c4)cc3)cc2)cc1.

What is the InChIKey of N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline?

The InChIKey is SRISJOZOGOBMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O2/c1-4-13-35(14-5-1)36-23-28-42(29-24-36)55(41-18-8-3-9-19-41)43-30-25-37(26-31-43)39-27-32-48-47(33-39)50-46(34-40-17-10-11-20-44(40)52(50)56-48)45-21-12-22-49-51(45)54-53(57-49)38-15-6-2-7-16-38/h1-34H.

What are the key properties of N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline?

N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline has a molecular weight of 730.87 g/mol, XLogP of 15.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline is sourced from PubChem (CID 171754122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171754122 — identifiers, structure, computed properties (public domain)

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