N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline

C52H37N — CID 76823027

About N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline

N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline (PubChem CID 76823027) has the molecular formula C52H37N and a molecular weight of 675.88 g/mol. Its IUPAC name is N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline.

Molecular Properties

• Compound Name: N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline
• PubChem CID: 76823027
• Molecular Formula: C52H37N
• Molecular Weight: 675.88 g/mol
• Exact Mass: 675.29
• IUPAC Name: N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline
• SMILES: C(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C52H37N/c1-4-14-40(15-5-1)41-32-34-43(35-33-41)52-49-22-12-10-20-47(49)51(48-21-11-13-23-50(48)52)42-30-26-38(27-31-42)24-25-39-28-36-46(37-29-39)53(44-16-6-2-7-17-44)45-18-8-3-9-19-45/h1-37H
• InChIKey: GHBPYGPCVMZEGO-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.88
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline?

The IUPAC name of N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline (CID 76823027) is N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline.

What is the SMILES notation for N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline?

The canonical SMILES for N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline is C(=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.

What is the InChIKey of N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline?

The InChIKey is GHBPYGPCVMZEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N/c1-4-14-40(15-5-1)41-32-34-43(35-33-41)52-49-22-12-10-20-47(49)51(48-21-11-13-23-50(48)52)42-30-26-38(27-31-42)24-25-39-28-36-46(37-29-39)53(44-16-6-2-7-17-44)45-18-8-3-9-19-45/h1-37H.

What are the key properties of N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline?

N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline has a molecular weight of 675.88 g/mol, XLogP of 14.63, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline is sourced from PubChem (CID 76823027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).