N-(3,5-dimethylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine

C56H44N2 — CID 89067967

About N-(3,5-dimethylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine

N-(3,5-dimethylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine (PubChem CID 89067967) has the molecular formula C56H44N2 and a molecular weight of 744.98 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

• Compound Name: N-(3,5-dimethylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
• PubChem CID: 89067967
• Molecular Formula: C56H44N2
• Molecular Weight: 744.98 g/mol
• Exact Mass: 744.35
• IUPAC Name: N-(3,5-dimethylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
• SMILES: Cc1cc(C)cc(N(c2ccc(-c3ccc(/C=C/c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)c2cccc3ccccc23)c1
• InChI: InChI=1S/C56H44N2/c1-41-38-42(2)40-54(39-41)58(56-19-11-13-49-12-9-10-18-55(49)56)53-36-32-48(33-37-53)46-28-24-44(25-29-46)21-20-43-22-26-45(27-23-43)47-30-34-52(35-31-47)57(50-14-5-3-6-15-50)51-16-7-4-8-17-51/h3-40H,1-2H3/b21-20+
• InChIKey: UOUALPLEADCYPB-QZQOTICOSA-N
• XLogP: 15.90
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.98
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine?

The IUPAC name of N-(3,5-dimethylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine (CID 89067967) is N-(3,5-dimethylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine.

What is the SMILES notation for N-(3,5-dimethylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine?

The canonical SMILES for N-(3,5-dimethylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine is Cc1cc(C)cc(N(c2ccc(-c3ccc(/C=C/c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)c2cccc3ccccc23)c1.

What is the InChIKey of N-(3,5-dimethylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine?

The InChIKey is UOUALPLEADCYPB-QZQOTICOSA-N. The full InChI is InChI=1S/C56H44N2/c1-41-38-42(2)40-54(39-41)58(56-19-11-13-49-12-9-10-18-55(49)56)53-36-32-48(33-37-53)46-28-24-44(25-29-46)21-20-43-22-26-45(27-23-43)47-30-34-52(35-31-47)57(50-14-5-3-6-15-50)51-16-7-4-8-17-51/h3-40H,1-2H3/b21-20+.

What are the key properties of N-(3,5-dimethylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine?

N-(3,5-dimethylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine has a molecular weight of 744.98 g/mol, XLogP of 15.90, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 89067967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).