1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine

C52H39N3O — CID 59721904

About 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine

1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine (PubChem CID 59721904) has the molecular formula C52H39N3O and a molecular weight of 721.90 g/mol. Its IUPAC name is 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine.

Molecular Properties

• Compound Name: 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine
• PubChem CID: 59721904
• Molecular Formula: C52H39N3O
• Molecular Weight: 721.90 g/mol
• Exact Mass: 721.31
• IUPAC Name: 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)o2)cc1
• InChI: InChI=1S/C52H39N3O/c1-6-16-40(17-7-1)51-38-39-52(56-51)41-26-28-46(29-27-41)55(49-34-30-47(31-35-49)53(42-18-8-2-9-19-42)43-20-10-3-11-21-43)50-36-32-48(33-37-50)54(44-22-12-4-13-23-44)45-24-14-5-15-25-45/h1-39H
• InChIKey: QTGIZWMCEKXUMQ-UHFFFAOYSA-N
• XLogP: 15.02
• TPSA: 22.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.90
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine?

The IUPAC name of 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine (CID 59721904) is 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine.

What is the SMILES notation for 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine?

The canonical SMILES for 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)o2)cc1.

What is the InChIKey of 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine?

The InChIKey is QTGIZWMCEKXUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N3O/c1-6-16-40(17-7-1)51-38-39-52(56-51)41-26-28-46(29-27-41)55(49-34-30-47(31-35-49)53(42-18-8-2-9-19-42)43-20-10-3-11-21-43)50-36-32-48(33-37-50)54(44-22-12-4-13-23-44)45-24-14-5-15-25-45/h1-39H.

What are the key properties of 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine?

1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine has a molecular weight of 721.90 g/mol, XLogP of 15.02, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(5-phenylfuran-2-yl)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 59721904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).